SCHEMBL117388

SCHEMBL117388

Nc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPRS1 P07814 4/20 1.00
ALDH1A1 P00352 3/20 0.65
GAA P10253 3/20 0.65
MAPT P10636 2/20 0.65
DHODH Q02127 3/20 0.63
PTGES O14684 1/20 0.58
ALOX5 P09917 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
CASP7 P55210 1/20 0.58
HIF1A Q16665 1/20 0.58
HSD17B10 Q99714 1/20 0.58
RXFP1 Q9HBX9 2/20 0.58
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
MC4R P32245 1/20 0.56
PPARG P37231 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL117430 0.88 EPRS1 (0.79) EPRS1ALDH1A1GAAMAPTDHODH
SCHEMBL1901337 0.87 EPRS1 (0.77) EPRS1ALDH1A1GAADHODHPTGES
SCHEMBL15919505 0.86 EPRS1 (0.75) EPRS1ALDH1A1GAAMAPTDHODH
SCHEMBL117422 0.83 PTGES (0.84) EPRS1ALDH1A1DHODHPTGESALOX5
SCHEMBL5792900 0.83 DHODH (0.78) EPRS1ALDH1A1GAADHODHPTGES
SCHEMBL117405 0.83 EPRS1 (0.71) EPRS1ALDH1A1GAADHODHPTGES
SCHEMBL12237494 0.82 RXFP1 (0.75) EPRS1ALDH1A1GAAMAPTDHODH
SCHEMBL5530291 0.82 EPRS1 (0.85) EPRS1ALDH1A1GAAMAPTDHODH
SCHEMBL29788463 0.81 DHODH (0.80) EPRS1DHODHKDM4EPOLBLMNA
SCHEMBL1899098 0.81 RXFP1 (0.79) EPRS1ALDH1A1GAAMAPTDHODH

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 7 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
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 US disclosed
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 US 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 (2 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 1402/4885ALDH1A1 289/4885GAA 6/4885
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF AARS1, GARS1, TRMT1 EPRS1 13/4885ALDH1A1 2406/4885GAA 1020/4885

“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.