SCHEMBL6729889

SCHEMBL6729889

CCOc1cc(/C=N/NC(=N)NO)c(Cl)c(OCC)c1OCC.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.42
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 4/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 7/20 0.37
GAA P10253 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 4/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL6729891 1.00 HSD17B1 (0.42) HSD17B1MEN1KMT2ALMNAATM
SCHEMBL915082 0.84 LMNA (0.39) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL915083 0.84 LMNA (0.39) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL915549 0.79 MAPT (0.40) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL915547 0.79 MAPT (0.40) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL6729893 0.78 HSD17B1 (0.43) HSD17B1MEN1KMT2ALMNAATM
SCHEMBL915452 0.78 HTT (0.44) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL915455 0.78 HTT (0.44) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL917034 0.76 FAAH (0.51) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL917032 0.76 FAAH (0.51) MEN1KMT2ALMNAALDH1A1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ACURE PHARMA AB (SE) 2004-02-05 US 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 (1 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-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 HSD17B1 1677/4885MEN1 1573/4885KMT2A 2134/4885

“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.