SCHEMBL891282

SCHEMBL891282

N=C(N)NC(=N)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.52
EPHX2 P34913 2/20 0.52
IDO1 P14902 2/20 0.50
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
MAPK14 Q16539 1/20 0.47
MAPT P10636 3/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 2/20 0.46
ADRA1A P35348 2/20 0.46
OPRM1 P35372 2/20 0.46

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 SCHEMBL9668292 0.98 EPHX1 (0.50) EPHX1EPHX2IDO1GAAALDH1A1
Nitric Acid SCHEMBL7366281 0.89 EPHX1 (0.46) EPHX1EPHX2IDO1GAAALDH1A1
SCHEMBL13584612 0.89 EPHX1 (0.59) EPHX1EPHX2IDO1GAAALDH1A1
SCHEMBL29518499 0.89 EPHX1 (0.59) EPHX1EPHX2IDO1GAAALDH1A1
Hydrochloric Acid SCHEMBL13584366 0.87 EPHX1 (0.57) EPHX1EPHX2IDO1GAAALDH1A1
SCHEMBL4100753 0.86 EPHX1 (0.58) EPHX1EPHX2IDO1GAAALDH1A1
SCHEMBL1995869 0.85 EPHX1 (0.59) EPHX1EPHX2IDO1GAAALDH1A1
SCHEMBL4103672 0.85 KMT2A (0.56) ALDH1A1CA2MAPTNPSR1NPC1
SCHEMBL11834166 0.85 GAA (0.51) GAAALDH1A1CA2MAPTALOX15
SCHEMBL11837380 0.85 NPC1 (0.42) EPHX1EPHX2IDO1GAAALDH1A1

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
US-20190144464-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2019-05-16 US claimed
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-05-07 US claimed
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 claimed
EP-0507317-A2 Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP claimed
CN-117062940-A Composition and method for treating substrate 富士胶片株式会社 2023-11-14 CN disclosed
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
CN-115746855-A Treatment liquid 富士胶片株式会社 2023-03-07 CN disclosed
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMACEUTICALS INC. 2022-05-19 US disclosed
CN-114364780-A Treatment liquid, kit, method for producing treatment liquid, method for cleaning substrate, and method for treating substrate 富士胶片株式会社 2022-04-15 CN disclosed
US-11065215-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMA (US) LLC (US) 2021-07-20 US disclosed
CN-108485840-B Cleaning formulation for removing residues on surfaces 富士胶片电子材料美国有限公司 2020-12-29 CN 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
EP-0507317-A2 Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP 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-20190144464-A1 BIGUANIDE COMPOUNDS AND USE THEREOF GCKR, GCG, SLC5A2 EPHX1 3275/4885EPHX2 3607/4885IDO1 4081/4885
US-11065215-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 EPHX1 2097/4885EPHX2 1873/4885IDO1 3912/4885
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 EPHX1 2097/4885EPHX2 1873/4885IDO1 3912/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 EPHX1 2359/4885EPHX2 2936/4885IDO1 118/4885
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS SLC5A2, SLC5A1, GPR119 EPHX1 2097/4885EPHX2 1873/4885IDO1 3912/4885
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 EPHX1 3675/4885EPHX2 3448/4885IDO1 20/4885
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF GCKR, GCG, SLC5A2 EPHX1 3275/4885EPHX2 3607/4885IDO1 4081/4885

“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.