SCHEMBL916589

SCHEMBL916589

Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)N/N=C/c1cc(Br)ccc1O

nearest known ligand 0.64

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
MAPT P10636 9/20 0.64
ALDH1A1 P00352 2/20 0.64
RBM39 Q14498 1/20 0.64
PIK3CG P48736 1/20 0.54
KMT2A Q03164 14/20 0.51
KDM4E B2RXH2 11/20 0.51
POLB P06746 2/20 0.51
GAA P10253 1/20 0.50
MEN1 O00255 7/20 0.48
HTT P42858 6/20 0.48
MITF O75030 4/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
GPR174 Q9BXC1 1/20 0.47
KLF5 Q13887 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 2/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL916591 1.00 MAPT (0.64) MAPTALDH1A1RBM39PIK3CGKMT2A
SCHEMBL917019 0.87 MAPT (0.47) MAPTALDH1A1RBM39PIK3CGKMT2A
SCHEMBL917017 0.87 MAPT (0.47) MAPTALDH1A1RBM39PIK3CGKMT2A
SCHEMBL914343 0.85 MAPT (0.56) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL914342 0.85 MAPT (0.56) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL914942 0.85 ALDH1A1 (0.56) MAPTALDH1A1RBM39PIK3CGKMT2A
SCHEMBL914940 0.85 ALDH1A1 (0.56) MAPTALDH1A1RBM39PIK3CGKMT2A
SCHEMBL916430 0.84 MAPT (0.55) MAPTALDH1A1RBM39KMT2AKDM4E
SCHEMBL916434 0.84 MAPT (0.55) MAPTALDH1A1RBM39KMT2AKDM4E
SCHEMBL916511 0.83 NCOA1 (0.50) MAPTALDH1A1RBM39KMT2AKDM4E

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 MAPT 4502/4885ALDH1A1 1879/4885RBM39 1315/4885
US-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 MAPT 4496/4885ALDH1A1 1756/4885RBM39 1392/4885
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 MAPT 4502/4885ALDH1A1 1879/4885RBM39 1315/4885
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 MAPT 4502/4885ALDH1A1 1879/4885RBM39 1315/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R MAPT 3465/4885ALDH1A1 1930/4885RBM39 2779/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R MAPT 3995/4885ALDH1A1 2132/4885RBM39 2344/4885

“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.