SCHEMBL15919454

SCHEMBL15919454

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
CYP1A2 P05177 1/20 0.57
POLB P06746 2/20 0.53
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
PLA2G2A P14555 7/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 2/20 0.42
DHODH Q02127 1/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
JAK2 O60674 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL15919455 0.92 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2POLBALDH1A1KMT2A
SCHEMBL15919268 0.91 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2POLBALDH1A1MEN1
SCHEMBL15904787 0.90 POLB (0.53) SMN1; SMN2CYP1A2POLBALDH1A1MEN1
SCHEMBL15919272 0.90 PLA2G2A (0.46) SMN1; SMN2CYP1A2POLBALDH1A1MEN1
Hydrochloric Acid SCHEMBL17313789 0.89 POLB (0.52) SMN1; SMN2CYP1A2POLBALDH1A1MEN1
SCHEMBL15919267 0.88 ACACB (0.45) SMN1; SMN2CYP1A2POLBALDH1A1MEN1
SCHEMBL17323668 0.87 PLA2G2A (0.47) SMN1; SMN2CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL15919456 0.87 POLB (0.53) SMN1; SMN2CYP1A2POLBALDH1A1MEN1
SCHEMBL15919477 0.87 ALDH1A1 (0.44) SMN1; SMN2CYP1A2POLBALDH1A1MEN1
SCHEMBL15919453 0.85 CYP1A2 (0.46) SMN1; SMN2CYP1A2POLBMEN1KMT2A

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 SMN1; SMN2 1142/4885CYP1A2 462/4885POLB 1777/4885

“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.