SCHEMBL15919458

SCHEMBL15919458

COC(=O)c1cc(-c2ccc(-c3ccc(NC(C)=O)cc3)cc2)nc2ccncc12

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.72
ALDH1A1 P00352 6/20 0.72
KDM4E B2RXH2 5/20 0.72
MEN1 O00255 5/20 0.72
PDE10A Q9Y233 2/20 0.57
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPK10 P53779 1/20 0.53
MOK Q9UQ07 4/20 0.53
PLA2G2A P14555 4/20 0.52
CYP3A4 P08684 1/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 3/20 0.49
RXFP1 Q9HBX9 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL15905264 0.86 KMT2A (0.57) KMT2AALDH1A1KDM4EMEN1PDE10A
SCHEMBL15919448 0.85 KDM4E (0.52) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL15919417 0.85 MEN1 (0.52) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL16603957 0.84 KMT2A (1.00) KMT2AALDH1A1KDM4EMEN1PDE10A
SCHEMBL15905538 0.84 PLA2G2A (0.56) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL15919274 0.82 PLA2G2A (0.52) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL15919482 0.81 PLA2G2A (0.53) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL15919436 0.81 PLA2G2A (0.50) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL15919454 0.80 SMN1; SMN2 (0.57) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL17323663 0.80 PLA2G2A (0.59) KMT2AALDH1A1KDM4EMEN1PDE10A

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 KMT2A 1886/4885ALDH1A1 289/4885KDM4E 3322/4885

“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.