SCHEMBL915979

SCHEMBL915979

COc1ccc(/C=N/NC(=N)NO)cc1Cl.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.51

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 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.51
LMNA P02545 8/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 12/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
GFER P55789 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
ALOX12 P18054 1/20 0.43
TRPM5 Q9NZQ8 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL915980 1.00 ALDH1A1 (0.51) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL915540 0.89 SMN1; SMN2 (0.52) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL915515 0.89 ALDH1A1 (0.52) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL915517 0.89 ALDH1A1 (0.52) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL915538 0.89 SMN1; SMN2 (0.52) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL916997 0.89 ALDH1A1 (0.45) ALDH1A1LMNAHTTMAPTGFER
SCHEMBL916999 0.89 ALDH1A1 (0.45) ALDH1A1LMNAHTTMAPTGFER
SCHEMBL13673609 0.86 MAPT (0.47) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL13673608 0.86 MAPT (0.47) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL915558 0.86 ALDH1A1 (0.43) ALDH1A1LMNAHTTMAPTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130295009-A1 METHOD OF TREATING INFLAMMATION HPF IP HOLDING S.A. (LU) 2013-11-07 US claimed
US-9227927-B2 Method of treating inflammation ANAMAR AB (SE) 2016-01-05 US disclosed
US-20130295009-A1 METHOD OF TREATING INFLAMMATION HPF IP HOLDING S.A. (LU) 2013-11-07 US disclosed
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS ANAMAR AB (SE) 2012-07-12 US disclosed
US-8148429-B2 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ANAMAR AB (SE) 2012-04-03 US disclosed
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2011-01-20 US disclosed
US-20070231267-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ACURE PHARMA AB (SE) 2007-10-04 US disclosed
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MELACURE THERAPEUTICS AB (SE) 2007-04-19 US disclosed
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 (6 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-20070231267-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 ALDH1A1 1879/4885LMNA 4609/4885HTT 333/4885
US-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 ALDH1A1 1756/4885LMNA 4614/4885HTT 336/4885
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 ALDH1A1 1879/4885LMNA 4609/4885HTT 333/4885
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 ALDH1A1 1879/4885LMNA 4609/4885HTT 333/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R ALDH1A1 1930/4885LMNA 3918/4885HTT 1123/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R ALDH1A1 2132/4885LMNA 4542/4885HTT 300/4885

“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.