SCHEMBL15919260

SCHEMBL15919260

CC(C)(C)OC(=O)NCCCOc1ccc(-c2ccc(-c3cc(C(=O)NN)c4cnccc4n3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 4/20 0.48
ACACB O00763 4/20 0.48
ACACA Q13085 3/20 0.48
TP53 P04637 1/20 0.47
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL15919257 0.91 PLA2G2A (0.55) SUCNR1ACACBACACATP53CA12
SCHEMBL15905067 0.89 TP53 (0.50) TP53KDM4EALDH1A1LMNAHTT
SCHEMBL15919256 0.88 PLA2G2A (0.53) SUCNR1ACACBACACATP53CA12
SCHEMBL15919618 0.87 TP53 (0.47) TP53KDM4EALDH1A1LMNAHTT
SCHEMBL15904789 0.87 TP53 (0.49) TP53KDM4EALDH1A1LMNAHTT
SCHEMBL15905052 0.86 TP53 (0.48) TP53KDM4EALDH1A1LMNAHTT
SCHEMBL15905335 0.86 ALDH1A1 (0.47) TP53KDM4EALDH1A1LMNAHTT
SCHEMBL15904823 0.84 ALDH1A1 (0.44) TP53KDM4EALDH1A1LMNAHTT
SCHEMBL15905409 0.84 KDM4E (0.48) TP53KDM4EALDH1A1LMNAHTT
SCHEMBL15919614 0.84 ALDH1A1 (0.48) ACACATP53KDM4EALDH1A1LMNA

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 SUCNR1 2245/4885ACACB 1141/4885ACACA 1262/4885

“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.