SCHEMBL915057

SCHEMBL915057

COc1cc([N+](=O)[O-])c([N+](=O)[O-])c(/C=N/NC(=N)NO)c1OC.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.41

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 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
MAPT P10636 9/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 7/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HTT P42858 2/20 0.37
GAA P10253 2/20 0.37
GFER P55789 1/20 0.37
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL915058 1.00 LMNA (0.40) LMNAMAPTCYP2C9CYP2C19KDM4E
SCHEMBL5574487 0.89 LMNA (0.45) LMNAMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5574491 0.89 LMNA (0.45) LMNAMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL915474 0.89 MAPT (0.39) LMNAMAPTCYP2C9CYP2C19KDM4E
SCHEMBL915472 0.89 MAPT (0.39) LMNAMAPTCYP2C9CYP2C19KDM4E
SCHEMBL917007 0.88 MAPT (0.42) LMNAMAPTCYP2C9CYP2C19KDM4E
SCHEMBL917008 0.88 MAPT (0.42) LMNAMAPTCYP2C9CYP2C19KDM4E
SCHEMBL915453 0.88 MAPT (0.39) LMNAMAPTCYP2C9CYP2C19KDM4E
SCHEMBL915451 0.88 MAPT (0.39) LMNAMAPTCYP2C9CYP2C19KDM4E
SCHEMBL915471 0.84 MAPT (0.48) LMNAMAPTCYP2C9CYP2C19KDM4E

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 7 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-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 (4 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-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 LMNA 4614/4885MAPT 4496/4885CYP2C9 277/4885
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 LMNA 4609/4885MAPT 4502/4885CYP2C9 279/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R LMNA 3918/4885MAPT 3465/4885CYP2C9 1110/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R LMNA 4542/4885MAPT 3995/4885CYP2C9 849/4885

“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.