SCHEMBL915477

SCHEMBL915477

Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1ccccc1Cl

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 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.49
MGLL Q99685 2/20 0.49
MMP2 P08253 1/20 0.46
ALDH1A1 P00352 6/20 0.45
MAPT P10636 6/20 0.45
LMNA P02545 5/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 2/20 0.42
NPSR1 Q6W5P4 3/20 0.41
GAA P10253 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
SCHEMBL915476 1.00 FAAH (0.49) FAAHMGLLMMP2ALDH1A1MAPT
SCHEMBL917034 0.91 FAAH (0.51) FAAHMGLLMMP2ALDH1A1MAPT
SCHEMBL917032 0.91 FAAH (0.51) FAAHMGLLMMP2ALDH1A1MAPT
SCHEMBL916983 0.87 MMP2 (0.46) MMP2ALDH1A1MAPTLMNAMAPK1
SCHEMBL914942 0.87 ALDH1A1 (0.56) FAAHMGLLALDH1A1MAPTLMNA
SCHEMBL914940 0.87 ALDH1A1 (0.56) FAAHMGLLALDH1A1MAPTLMNA
SCHEMBL916984 0.87 MMP2 (0.46) MMP2ALDH1A1MAPTLMNAMAPK1
SCHEMBL924884 0.87 LMNA (0.59) FAAHMGLLALDH1A1MAPTLMNA
SCHEMBL924885 0.87 LMNA (0.59) FAAHMGLLALDH1A1MAPTLMNA
SCHEMBL2065955 0.86 MAPT (0.43) FAAHMGLLMMP2ALDH1A1MAPT

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 12 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
EP-1313461-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS Melacure Therapeutics AB (SE) 2003-05-28 EP disclosed
WO-2002011715-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MELACURE THERAPEUTICS AB (SE) 2002-02-14 WO 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 FAAH 556/4885MGLL 3239/4885MMP2 3152/4885
US-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 FAAH 547/4885MGLL 3238/4885MMP2 3109/4885
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 FAAH 556/4885MGLL 3239/4885MMP2 3152/4885
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 FAAH 556/4885MGLL 3239/4885MMP2 3152/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R FAAH 302/4885MGLL 1513/4885MMP2 1653/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R FAAH 278/4885MGLL 2765/4885MMP2 2367/4885

“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.