SCHEMBL117422

SCHEMBL117422

O=C(O)c1cc(-c2ccc(Br)cc2)nc2ccc(Cl)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.84
ALDH1A1 P00352 1/20 0.84
ALOX5 P09917 1/20 0.84
CYP2C9 P11712 1/20 0.84
HPGD P15428 1/20 0.84
CASP7 P55210 1/20 0.84
HIF1A Q16665 1/20 0.84
HSD17B10 Q99714 1/20 0.84
DHODH Q02127 8/20 0.76
EPRS1 P07814 3/20 0.71
KDM4E B2RXH2 1/20 0.63

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
SCHEMBL18320549 0.92 DHODH (0.76) PTGESALDH1A1ALOX5CYP2C9HPGD
SCHEMBL5529524 0.91 HSD17B10 (0.94) PTGESALDH1A1ALOX5CYP2C9HPGD
SCHEMBL14286200 0.91 HSD17B10 (1.00) PTGESALDH1A1ALOX5CYP2C9HPGD
SCHEMBL31590457 0.90 PTGES (0.68) PTGESALDH1A1ALOX5CYP2C9HPGD
SCHEMBL117430 0.88 EPRS1 (0.79) PTGESALDH1A1ALOX5CYP2C9HPGD
SCHEMBL1898306 0.87 HSD17B10 (0.86) PTGESALDH1A1ALOX5CYP2C9HPGD
SCHEMBL19475331 0.86 ALDH1A1 (0.84) PTGESALDH1A1ALOX5CYP2C9HPGD
SCHEMBL8231321 0.86 DHODH (1.00) PTGESALDH1A1ALOX5CYP2C9HPGD
SCHEMBL27938966 0.86 PLA2G2A (0.78) PTGESALDH1A1ALOX5CYP2C9HPGD
SCHEMBL24685853 0.85 ALDH1A1 (0.69) PTGESALDH1A1ALOX5CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102417479-B STAT3 small molecular selective inhibitor and preparation method and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2014-02-26 CN 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 (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 PTGES 1333/4885ALDH1A1 2406/4885ALOX5 1776/4885

“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.