SCHEMBL117228

SCHEMBL117228

Cc1cc(C)c2nc(-c3ccc(Br)cc3)cc(C(=O)O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPRS1 P07814 5/20 0.65
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 1/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
PKM P14618 1/20 0.59
APEX1 P27695 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
RCE1 Q9Y256 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
RXFP1 Q9HBX9 1/20 0.51
HSD17B10 Q99714 1/20 0.51
DHODH Q02127 1/20 0.51

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
SCHEMBL116062 0.88 EPRS1 (0.64) EPRS1ALDH1A1HSD17B10DHODH
SCHEMBL116047 0.87 EPRS1 (0.63) EPRS1ALDH1A1HSD17B10DHODH
SCHEMBL3578606 0.85 KMT2A (0.65) KDM4EALDH1A1MEN1POLBGAA
SCHEMBL4602833 0.80 KDM4E (0.52) EPRS1KDM4EALDH1A1MEN1POLB
SCHEMBL117482 0.79 EPRS1 (1.00) EPRS1RXFP1DHODH
SCHEMBL117434 0.77 EPRS1 (1.00) EPRS1DHODH
SCHEMBL5838639 0.76 DHODH (0.74) EPRS1KDM4EALDH1A1MEN1POLB
SCHEMBL17502174 0.75 KDM4E (0.57) KDM4EALDH1A1MEN1POLBGAA
SCHEMBL8619775 0.75 PPARA (0.64) KDM4EALDH1A1MEN1POLBGAA
SCHEMBL117430 0.75 EPRS1 (0.79) EPRS1KDM4EALDH1A1MEN1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF AARS1, GARS1, TRMT1 EPRS1 13/4885KDM4E 1144/4885ALDH1A1 2406/4885

“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.