SCHEMBL4318461

SCHEMBL4318461

Cc1c(C2CC(O)C2)nc2ccc([N+](=O)[O-])cn12.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.46

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 4/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
STAT3 P40763 1/20 0.40
CASP3 P42574 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 1/20 0.38
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CXCR5 P32302 1/20 0.37

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
SCHEMBL4318467 0.82 MAPT (0.43) ALDH1A1MAPTLMNAGAARAB9A
SCHEMBL4325543 0.78 ALDH1A1 (0.50) ALDH1A1MAPTLMNAGAARAB9A
SCHEMBL4318743 0.76 ALDH1A1 (0.44) ALDH1A1MAPTLMNAGAARAB9A
SCHEMBL4321198 0.75 ALDH1A1 (0.47) ALDH1A1MAPTLMNAGAARAB9A
SCHEMBL4321691 0.73 MAPT (0.48) ALDH1A1MAPTLMNAGAARAB9A
SCHEMBL4324981 0.71 ALDH1A1 (0.44) ALDH1A1MAPTLMNAGAARAB9A
SCHEMBL19272432 0.69 ACHE (0.69) ALDH1A1MAPTGAARAB9AKMT2A
SCHEMBL4311317 0.67 MAPT (0.57) ALDH1A1MAPTLMNAGAARAB9A
SCHEMBL4331874 0.65 ALDH1A1 (0.51) ALDH1A1MAPTLMNAGAARAB9A
4-Nitrotoluene SCHEMBL6481181 0.65 ACHE (0.60) ALDH1A1LMNARAB9ASMN1; SMN2KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566781-B2 Imidazopyridine compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 US disclosed
US-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide BANYU PHARMACEUTICAL., LTD. (JP) 2007-10-25 US disclosed
EP-1748048-A1 IMIDAZOPYRIDINE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-31 EP 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 (1 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-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide MC1R, MCHR2, MCHR1 ALDH1A1 920/4885MAPT 3054/4885LMNA 3634/4885

“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.