SCHEMBL916149

SCHEMBL916149

COc1cccc(/C=N/NC(=N)NO)c1O.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.55

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 12/20 0.55
MAPT P10636 10/20 0.55
HTT P42858 7/20 0.55
NPC1 O15118 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
POLB P06746 5/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
LMNA P02545 3/20 0.55
RECQL P46063 2/20 0.55
TDP1 Q9NUW8 4/20 0.52
HPGD P15428 3/20 0.52
GAA P10253 3/20 0.52
ALDH1A1 P00352 3/20 0.52
APEX1 P27695 1/20 0.52
TP53 P04637 1/20 0.49
KMT2A Q03164 8/20 0.48
MEN1 O00255 6/20 0.48
JAK2 O60674 1/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48

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
SCHEMBL916151 1.00 KDM4E (0.55) KDM4EMAPTHTTNPC1SMN1; SMN2
SCHEMBL2066615 0.91 MAPT (0.56) KDM4EMAPTHTTNPC1SMN1; SMN2
SCHEMBL2066612 0.91 MAPT (0.56) KDM4EMAPTHTTNPC1SMN1; SMN2
SCHEMBL915616 0.90 KDM4E (0.55) KDM4EMAPTHTTNPC1SMN1; SMN2
SCHEMBL915618 0.90 KDM4E (0.55) KDM4EMAPTHTTNPC1SMN1; SMN2
SCHEMBL915929 0.88 MAPT (0.43) KDM4EMAPTHTTNPC1SMN1; SMN2
SCHEMBL915931 0.88 MAPT (0.43) KDM4EMAPTHTTNPC1SMN1; SMN2
SCHEMBL2065810 0.87 NOX4 (0.49) KDM4EMAPTHTTSMN1; SMN2POLB
SCHEMBL2065807 0.87 NOX4 (0.49) KDM4EMAPTHTTSMN1; SMN2POLB
SCHEMBL916651 0.86 ERN1 (0.44) KDM4EMAPTHTTNPC1SMN1; SMN2

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 KDM4E 2870/4885MAPT 4502/4885HTT 333/4885
US-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 KDM4E 2898/4885MAPT 4496/4885HTT 336/4885
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 KDM4E 2870/4885MAPT 4502/4885HTT 333/4885
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 KDM4E 2870/4885MAPT 4502/4885HTT 333/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R KDM4E 3363/4885MAPT 3465/4885HTT 1123/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R KDM4E 3527/4885MAPT 3995/4885HTT 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.