SCHEMBL2642684

SCHEMBL2642684

O=C(CBr)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
ERCC1 P07992 4/20 0.47
ERCC4 Q92889 4/20 0.47
P2RX7 Q99572 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
GALR3 O60755 1/20 0.46
NR2F2 P24468 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GGPS1 O95749 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43

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
SCHEMBL28940593 0.88 IDO1 (0.54) IDO1ERCC1ERCC4P2RX7CYP1A2
SCHEMBL31204467 0.83 IDO1 (0.53) IDO1ERCC1ERCC4P2RX7CYP1A2
SCHEMBL3017863 0.83 MAPK1 (0.52) IDO1ERCC1ERCC4P2RX7CYP1A2
SCHEMBL2211442 0.83 IDO1 (0.53) IDO1ERCC1ERCC4P2RX7CYP1A2
SCHEMBL25244766 0.82 ERCC1 (0.43) ERCC1ERCC4P2RX7CYP1A2CYP2C9
SCHEMBL9978814 0.81 ERCC1 (0.49) IDO1ERCC1ERCC4P2RX7CYP1A2
SCHEMBL20595771 0.81 IDO1 (0.49) IDO1ERCC1ERCC4P2RX7CYP1A2
SCHEMBL11046383 0.81 TDP1 (0.49) IDO1ERCC1ERCC4P2RX7CYP1A2
SCHEMBL11311719 0.80 ALDH1A1 (0.50) IDO1ERCC1ERCC4P2RX7GALR3
Hydrochloric Acid SCHEMBL23391445 0.80 IDO1 (0.51) IDO1ERCC1ERCC4P2RX7CYP1A2

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-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them UNIVERSITY OF WASHINGTON (US) 2023-02-21 US disclosed
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON 2021-05-27 US disclosed
WO-2018237349-A1 INHIBITORS OF TYPED 1 METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON (US) 2018-12-27 WO disclosed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 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 (3 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-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use GLP1R, GPR119, GCGR IDO1 810/4885ERCC1 3763/4885ERCC4 3581/4885
US-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them AARS1, EMG1, GARS1 IDO1 1989/4885ERCC1 3093/4885ERCC4 2208/4885
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM AARS1, GARS1, MTR IDO1 2633/4885ERCC1 3761/4885ERCC4 2248/4885

“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.