SCHEMBL15919477

SCHEMBL15919477

COC(=O)c1cc(-c2ccc(-c3ccc(-c4cc(CNS(C)(=O)=O)on4)cc3)cc2)nc2ccncc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
LMNA P02545 2/20 0.44
PLA2G2A P14555 7/20 0.44
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 2/20 0.41
MAPT P10636 3/20 0.41
DHODH Q02127 1/20 0.40
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL15905103 0.90 MAPT (0.43) ALDH1A1CYP3A4CYP2C9LMNAKMT2A
SCHEMBL15905550 0.89 CYP3A4 (0.38) ALDH1A1CYP3A4CYP2C9LMNAKMT2A
SCHEMBL15919272 0.88 PLA2G2A (0.46) ALDH1A1LMNAPLA2G2AKMT2AKDM4E
SCHEMBL15919454 0.87 SMN1; SMN2 (0.57) ALDH1A1LMNAPLA2G2AKMT2AKDM4E
SCHEMBL17323668 0.86 PLA2G2A (0.47) ALDH1A1CYP2C9PLA2G2AKMT2AKDM4E
SCHEMBL15919268 0.85 SMN1; SMN2 (0.45) ALDH1A1LMNAPLA2G2AKMT2AKDM4E
SCHEMBL15919267 0.83 ACACB (0.45) ALDH1A1LMNAPLA2G2AKMT2AKDM4E
SCHEMBL17327507 0.81 PLA2G2A (0.56) ALDH1A1LMNAPLA2G2AKMT2AKDM4E
SCHEMBL15919448 0.81 KDM4E (0.52) ALDH1A1CYP3A4LMNAPLA2G2AKMT2A
SCHEMBL17323662 0.80 PLA2G2A (0.57) ALDH1A1LMNAPLA2G2AKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 WO 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ALDH1A1 289/4885CYP3A4 558/4885CYP2C9 840/4885

“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.