SCHEMBL15919601

SCHEMBL15919601

Nc1cc2nc(-c3ccc(Br)cc3)cc(C(=O)O)c2cn1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPRS1 P07814 6/20 0.67
DHODH Q02127 3/20 0.53
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL15919554 0.85 EPRS1 (0.60) EPRS1DHODHHIF1AHSD17B10ALDH1A1
SCHEMBL15919736 0.84 EPRS1 (0.47) EPRS1DHODHTP53CYP1A2CYP2C19
SCHEMBL117388 0.80 EPRS1 (1.00) EPRS1DHODHHIF1AHSD17B10ALDH1A1
SCHEMBL15905102 0.80 EPRS1 (0.64) EPRS1DHODHALDH1A1GAA
SCHEMBL117430 0.79 EPRS1 (0.79) EPRS1DHODHHIF1AHSD17B10ALDH1A1
SCHEMBL15919570 0.79 MAPT (0.44) EPRS1ALDH1A1GAAMAPT
SCHEMBL29788463 0.78 DHODH (0.80) EPRS1DHODHTP53
SCHEMBL116022 0.78 DHODH (0.80) EPRS1DHODHTP53
SCHEMBL31590457 0.76 PTGES (0.68) EPRS1DHODHHIF1AHSD17B10ALDH1A1
SCHEMBL5792900 0.75 DHODH (0.78) EPRS1DHODHHIF1AHSD17B10ALDH1A1

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 EPRS1 1402/4885DHODH 554/4885TP53 2109/4885

“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.