SCHEMBL15919284

SCHEMBL15919284

COC(=O)C1CCCCN1C(=O)c1ccc(C#Cc2ccc(-c3cc(C(=O)NNC(=O)OC(C)(C)C)c4cnccc4n3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.41
ACACA Q13085 4/20 0.41
RAB9A P51151 4/20 0.39
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.38
ROCK2 O75116 1/20 0.38
KCNQ1 P51787 1/20 0.36
PREP P48147 1/20 0.35
CYP2C9 P11712 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL15919289 0.94 ACACB (0.41) ACACBACACAROCK2KCNQ1PREP
SCHEMBL15919529 0.94 ACACB (0.42) ACACBACACARAB9AGALR3NR2F2
SCHEMBL15919377 0.94 ACACB (0.37) ACACBACACARAB9AGALR3NR2F2
SCHEMBL15919290 0.93 ACACB (0.38) ACACBACACARAB9AGALR3NR2F2
SCHEMBL15919492 0.93 ROCK2 (0.38) ACACBACACARAB9AGALR3NR2F2
SCHEMBL17323689 0.93 ACACB (0.38) ACACBACACARAB9AGALR3NR2F2
SCHEMBL15919486 0.89 KMT2A (0.36) ACACBACACARAB9AGALR3NR2F2
SCHEMBL15919379 0.88 ACACB (0.36) ACACBACACAKMT2ACYP2C9
SCHEMBL17323683 0.88 ACACB (0.37) ACACBACACAKMT2AROCK2KCNQ1
SCHEMBL15919287 0.88 ACACB (0.37) ACACBACACAKMT2AKCNQ1

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 ACACB 1141/4885ACACA 1262/4885RAB9A 2721/4885

“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.