SCHEMBL915904

SCHEMBL915904

COc1cc(OC)c(C=NNC(=N)NO)cc1Br.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.49

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
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 11/20 0.48
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
HPGD P15428 1/20 0.42
HTT P42858 5/20 0.41
LMNA P02545 5/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
RBM39 Q14498 1/20 0.38
GAA P10253 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL915903 1.00 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2MAPTSAE1
SCHEMBL915455 0.94 HTT (0.44) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL915452 0.94 HTT (0.44) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL915517 0.87 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL2068623 0.87 MEN1 (0.50) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL915515 0.87 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL2068625 0.87 MEN1 (0.50) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL915122 0.85 MAPT (0.40) KDM4EALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL915119 0.85 MAPT (0.40) KDM4EALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL2066615 0.85 MAPT (0.56) KDM4EALDH1A1SMN1; SMN2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 2870/4885ALDH1A1 1879/4885SMN1; SMN2 3287/4885
US-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 KDM4E 2898/4885ALDH1A1 1756/4885SMN1; SMN2 3263/4885
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 KDM4E 2870/4885ALDH1A1 1879/4885SMN1; SMN2 3287/4885
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 KDM4E 2870/4885ALDH1A1 1879/4885SMN1; SMN2 3287/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R KDM4E 3363/4885ALDH1A1 1930/4885SMN1; SMN2 3361/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R KDM4E 3527/4885ALDH1A1 2132/4885SMN1; SMN2 3068/4885

“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.