SCHEMBL916985

SCHEMBL916985

Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)N/N=C/c1c(F)cccc1F

nearest known ligand 0.48

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
ALDH1A1 P00352 5/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
RRM1 P23921 1/20 0.37
KDM1A O60341 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL916986 1.00 ALDH1A1 (0.48) ALDH1A1RECQLSMN1; SMN2POLBMAPT
SCHEMBL916122 0.89 ALDH1A1 (0.41) ALDH1A1RECQLSMN1; SMN2POLBMAPT
SCHEMBL916124 0.89 ALDH1A1 (0.41) ALDH1A1RECQLSMN1; SMN2POLBMAPT
SCHEMBL916085 0.88 RAB9A (0.47) ALDH1A1SMN1; SMN2POLBMAPTKDM4E
SCHEMBL916084 0.88 RAB9A (0.47) ALDH1A1SMN1; SMN2POLBMAPTKDM4E
SCHEMBL915998 0.84 MAOB (0.46) ALDH1A1SMN1; SMN2POLBMAPTHPGD
SCHEMBL915996 0.84 MAOB (0.46) ALDH1A1SMN1; SMN2POLBMAPTHPGD
SCHEMBL915929 0.84 MAPT (0.43) ALDH1A1RECQLSMN1; SMN2POLBMAPT
SCHEMBL915931 0.84 MAPT (0.43) ALDH1A1RECQLSMN1; SMN2POLBMAPT
SCHEMBL916096 0.83 FAAH (0.47) ALDH1A1SMN1; SMN2POLBMAPTHPGD

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 10 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-8410174-B2 Method for treating arthritis ANAMAR AB (SE) 2013-04-02 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 1879/4885RECQL 1872/4885SMN1; SMN2 3287/4885
US-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 ALDH1A1 1756/4885RECQL 1906/4885SMN1; SMN2 3263/4885
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 ALDH1A1 1879/4885RECQL 1872/4885SMN1; SMN2 3287/4885
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 ALDH1A1 1879/4885RECQL 1872/4885SMN1; SMN2 3287/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R ALDH1A1 1930/4885RECQL 2323/4885SMN1; SMN2 3361/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R ALDH1A1 2132/4885RECQL 1173/4885SMN1; 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.