SCHEMBL6515386

SCHEMBL6515386

CN1C=CC(c2c3nc(c(C4=CCN(C)C=C4)c4ccc([nH]4)c(C4=CCN(C)C=C4)c4nc(c(C5=CCN(C)C=C5)c5ccc2[nH]5)C=C4)C=C3)=CC1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.52

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
ENPP2 Q13822 1/20 0.52
TERT O14746 3/20 0.47
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 3/20 0.37
CYP1A2 P05177 2/20 0.33
TOP1 P11387 3/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
CYCS P99999 2/20 0.32

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
SCHEMBL29965184 1.00 ENPP2 (0.52) ENPP2TERTALDH1A1MAPTKDM4E
SCHEMBL4141501 1.00 ENPP2 (0.52) ENPP2TERTALDH1A1MAPTKDM4E
SCHEMBL4147314 0.87 ENPP2 (0.49) ENPP2TERTALDH1A1MAPTKDM4E
SCHEMBL4145137 0.85 ENPP2 (0.46) ENPP2TERTALDH1A1MAPTKDM4E
SCHEMBL30417480 0.85 TERT (0.43) ENPP2TERTTOP1CYCS
SCHEMBL18418 0.84 TERT (0.44) ENPP2TERTTOP1CYCS
Trifluoromethanesulfonic Acid SCHEMBL4126859 0.84 ENPP2 (0.41) ENPP2TERTTOP1ABCG2CYCS
SCHEMBL4134381 0.83 ENPP2 (0.46) ENPP2TERTALDH1A1MAPTKDM4E
Bromide SCHEMBL4128664 0.83 TERT (0.43) ENPP2TERTTOP1CYCS
Hydrochloric Acid SCHEMBL7246124 0.83 TERT (0.43) ENPP2TERTTOP1CYCS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090428-A1 Porphyrins with virucidal activity EMORY UNIVERSITY (US) 2005-04-28 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 (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-20050090428-A1 Porphyrins with virucidal activity ZP1, MAVS, VIP ENPP2 3021/4885TERT 869/4885ALDH1A1 3022/4885

“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.