SCHEMBL15919288

SCHEMBL15919288

O=C(NNCl)c1cc(-c2ccc(C#Cc3ccc(C(=O)N4CCCCC4C(=O)O)cc3F)cc2)nc2ccncc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 15/20 0.35
TRPV1 Q8NER1 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL15919380 0.96 GYS1 (0.33) GYS1TRPV1MEN1KMT2ACYP2C9
SCHEMBL17327509 0.93 TDP1 (0.34) GYS1TRPV1MEN1KMT2ASMN1; SMN2
SCHEMBL17327495 0.92 TDP1 (0.37) TRPV1MEN1KMT2ASMN1; SMN2CYP2C9
SCHEMBL15904967 0.92 GYS1 (0.35) GYS1TRPV1MEN1KMT2ASMN1; SMN2
SCHEMBL15919415 0.92 GYS1 (0.35) GYS1TRPV1MEN1KMT2ASMN1; SMN2
SCHEMBL17313743 0.92 GYS1 (0.35) GYS1TRPV1MEN1KMT2ASMN1; SMN2
SCHEMBL17327552 0.90 ALDH1A1 (0.38) TRPV1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL15905247 0.90 GYS1 (0.37) GYS1TRPV1
SCHEMBL15919287 0.89 ACACB (0.37) GYS1TRPV1MEN1KMT2ASMN1; SMN2
SCHEMBL15905457 0.88 TYMS (0.36) GYS1TRPV1

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-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
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 GYS1 2885/4885TRPV1 1448/4885MEN1 511/4885

“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.