SCHEMBL3674744

SCHEMBL3674744

N=C(N)NC(=N)Nc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
IDO1 P14902 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TGM2 P21980 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 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
Hydrochloric Acid SCHEMBL16702582 0.98 ALDH1A1 (0.52) ALDH1A1IDO1MEN1KMT2AGAA
SCHEMBL3068902 0.89 F2 (0.43) ALDH1A1GAAMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL28092299 0.86 MAPT (0.46) ALDH1A1IDO1MEN1KMT2AGAA
SCHEMBL4101986 0.85 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL4029597 0.83 ALDH1A1 (0.61) ALDH1A1IDO1MEN1KMT2AGAA
SCHEMBL173657 0.83 ALDH1A1 (0.54) ALDH1A1IDO1MEN1KMT2AGAA
SCHEMBL29430229 0.82 ALDH1A1 (0.52) ALDH1A1IDO1MEN1KMT2AGAA
SCHEMBL28592175 0.82 PEPD (0.52) ALDH1A1MEN1KMT2AGAALMNA
Hydrochloric Acid SCHEMBL9957962 0.81 ALDH1A1 (0.59) ALDH1A1IDO1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL4372005 0.81 ALDH1A1 (0.50) ALDH1A1IDO1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437685-B Degradable dynamic polymer plugging material and preparation method and application thereof 四川大学 2022-12-23 CN claimed
CN-114437685-A Degradable dynamic polymer plugging material and preparation method and application thereof 四川大学 2022-05-06 CN claimed
CN-108503813-B Curing agent for carboxyl resin, preparation method and application composition 黄山华惠科技有限公司 2020-02-18 CN claimed
US-20190144464-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2019-05-16 US claimed
CN-108503813-A A kind of carboxy resin curing agent, preparation method and application composition 黄山华惠科技有限公司 2018-09-07 CN 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
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-05-07 US claimed
CN-114437685-B Degradable dynamic polymer plugging material and preparation method and application thereof 四川大学 2022-12-23 CN disclosed
CN-114437685-A Degradable dynamic polymer plugging material and preparation method and application thereof 四川大学 2022-05-06 CN disclosed
WO-2021022224-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF THEIR USE IN THE INHIBITION OF INTERACTION BETWEEN IL18 AND IL18R BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2021-02-04 WO disclosed
WO-2020232056-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-19 WO disclosed
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 disclosed
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 disclosed
US-5859218-A MOLECULAR DISTILLING MONOGLYCOSIDE FROM MIXTURE OF ALKYL MONOGLYCOSIDE AND ALKYL POLYGLYCOSIDE; ENHANCED SURFACTANT PROPERTIES HENKEL CORPORATION (US) 1999-01-12 US disclosed
US-5734029-A FOAMING CLEANING PRODUCT HENKEL CORPORATION (US) 1998-03-31 US disclosed
US-5449763-A Detergents, surfactants HENKEL CORPORATION (US) 1995-09-12 US disclosed
EP-0643717-A1 PREPARATION OF ALKYLPOLYGLYCOSIDES HENKEL CORPORATION (US) 1995-03-22 EP disclosed
EP-0607198-A1 PREPARATION OF IMPROVED ALKYLPOLYGLYCOSIDE SURFACTANT MIXTURES HENKEL CORPORATION (US) 1994-07-27 EP disclosed
WO-1993007160-A1 PREPARATION OF ALKYLPOLYGLYCOSIDES HENKEL CORPORATION (US) 1993-04-15 WO disclosed
WO-1993007249-A1 PREPARATION OF IMPROVED ALKYLPOLYGLYCOSIDE SURFACTANT MIXTURES HENKEL CORPORATION (US) 1993-04-15 WO 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 (4 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-10716771-B2 Pharmaceutical composition for preventing or treating immune diseases or inflammatory diseases, containing biguanide derivative compound as active ingredient IL17A, TNF, IL2 ALDH1A1 2223/4885IDO1 99/4885MEN1 3499/4885
US-20190144464-A1 BIGUANIDE COMPOUNDS AND USE THEREOF GCKR, GCG, SLC5A2 ALDH1A1 2430/4885IDO1 4081/4885MEN1 351/4885
US-20170333370-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT IL17A, TNF, IL2 ALDH1A1 2223/4885IDO1 99/4885MEN1 3499/4885
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF GCKR, GCG, SLC5A2 ALDH1A1 2430/4885IDO1 4081/4885MEN1 351/4885

“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.