SCHEMBL4098040

SCHEMBL4098040

N=C(N)NC(=N)Nc1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
PKM P14618 2/20 0.41
LMNA P02545 1/20 0.41
EGFR P00533 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31195423 1.00 HTT (0.46) HTTCYP2C19ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL4476848 0.98 HTT (0.45) HTTCYP2C19ALDH1A1NPC1RAB9A
SCHEMBL4098037 0.87 HTT (0.51) HTTCYP2C19ALDH1A1NPC1RAB9A
SCHEMBL4095279 0.86 SMN1; SMN2 (0.40) HTTALDH1A1SMN1; SMN2CA9PKM
SCHEMBL9316696 0.85 HTT (0.51) HTTCYP2C19ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL16702112 0.85 SMN1; SMN2 (0.39) HTTALDH1A1SMN1; SMN2CA9PKM
SCHEMBL11412037 0.83 SIGMAR1 (0.46) HTTALDH1A1SMN1; SMN2LMNA
SCHEMBL11320624 0.83 RAB9A (0.56) HTTCYP2C19ALDH1A1NPC1RAB9A
SCHEMBL12838551 0.83 NPC1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2CA12
SCHEMBL11835923 0.83 MAP2K2 (0.40) HTTCA1CA2CA9LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10716771-B2 Pharmaceutical composition for preventing or treating immune diseases or inflammatory diseases, containing biguanide derivative compound as active ingredient THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC CORPORATION FOUNDATION (KR) 2020-07-21 US claimed
US-20190328685-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2019-10-31 US claimed
US-20170333370-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2017-11-23 US claimed
EP-0507317-A2 Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP claimed
US-20240374545-A1 DIAGNOSIS OF IMMUNITY REDUCTION THROUGH INTESTINAL MICROFLORA ANALYSIS OF STOMACH CANCER PATIENTS, AND THERAGNOSTIC COMPOSITION USING INTESTINAL MICROFLORA THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2024-11-14 US disclosed
WO-2024143583-A1 THERAPEUTIC INJECTION COMPOSITION FOR IMMUNOREGULATION IN OSTEOARTHRITIS SYNOVIAL JOINT 가톨릭대학교 산학협력단 2024-07-04 WO disclosed
WO-2024143583-A1 THERAPEUTIC INJECTION COMPOSITION FOR IMMUNOREGULATION IN OSTEOARTHRITIS SYNOVIAL JOINT 가톨릭대학교 산학협력단 2024-07-04 WO disclosed
WO-2023140721-A1 DIAGNOSIS OF IMMUNITY REDUCTION THROUGH INTESTINAL MICROFLORA ANALYSIS OF STOMACH CANCER PATIENTS, AND THERAGNOSTIC COMPOSITION USING INTESTINAL MICROFLORA 가톨릭대학교 산학협력단 2023-07-27 WO disclosed
WO-2023140721-A1 DIAGNOSIS OF IMMUNITY REDUCTION THROUGH INTESTINAL MICROFLORA ANALYSIS OF STOMACH CANCER PATIENTS, AND THERAGNOSTIC COMPOSITION USING INTESTINAL MICROFLORA 가톨릭대학교 산학협력단 2023-07-27 WO disclosed
WO-2023136698-A1 BIGUANIDE COMPOSITION IN WHICH LUPUS-CAUSING B CELLS AND IMMUNOSUPPRESSANT HAVING ANTIBODY MODULATION EFFECT ARE COMBINED 가톨릭대학교 산학협력단 2023-07-20 WO disclosed
WO-2023136698-A1 BIGUANIDE COMPOSITION IN WHICH LUPUS-CAUSING B CELLS AND IMMUNOSUPPRESSANT HAVING ANTIBODY MODULATION EFFECT ARE COMBINED 가톨릭대학교 산학협력단 2023-07-20 WO disclosed
WO-2022092915-A1 COMPOSITION FOR PREVENTING AND TREATING IMMUNE DISEASES CONTAINING GDF15 AS ACTIVE INGREDIENT 가톨릭대학교 산학협력단 2022-05-05 WO disclosed
US-20090123513-A1 Antimicrobial Biguanide Metal Complexes SMITH & NEPHEW PLC (GB) 2009-05-14 US disclosed
EP-1902059-A1 ANTIMICROBIAL BIGUANIDE METAL COMPLEXES Smith & Nephew, PLC (GB) 2008-03-26 EP disclosed
WO-2007000590-A1 ANTIMICROBIAL BIGUANIDE METAL COMPLEXES SMITH & NEPHEW PLC (GB) 2007-01-04 WO disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP disclosed
CN-1065453-A Biguanide derivative, its manufacture method and the Herb of Common violet that contains this derivative OTSUKA CHEMICAL CO LTD (JP) 1992-10-21 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090123513-A1 Antimicrobial Biguanide Metal Complexes GLMN, SOD1, MB HTT 3937/4885CYP2C19 1265/4885ALDH1A1 2475/4885
US-10716771-B2 Pharmaceutical composition for preventing or treating immune diseases or inflammatory diseases, containing biguanide derivative compound as active ingredient IL17A, TNF, IL2 HTT 1585/4885CYP2C19 995/4885ALDH1A1 2223/4885
US-20170333370-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT IL17A, TNF, IL2 HTT 1585/4885CYP2C19 995/4885ALDH1A1 2223/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 HTT 1124/4885CYP2C19 2413/4885ALDH1A1 1073/4885
US-20190328685-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT IL17A, TNF, IL2 HTT 1585/4885CYP2C19 995/4885ALDH1A1 2223/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT HTT 1588/4885CYP2C19 2856/4885ALDH1A1 1610/4885
US-20240374545-A1 DIAGNOSIS OF IMMUNITY REDUCTION THROUGH INTESTINAL MICROFLORA ANALYSIS OF STOMACH CANCER PATIENTS, AND THERAGNOSTIC COMPOSITION USING INTESTINAL MICROFLORA FABP6, SLC10A2, FABP2 HTT 4012/4885CYP2C19 775/4885ALDH1A1 1700/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.