SCHEMBL117405

SCHEMBL117405

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPRS1 P07814 4/20 0.71
DHODH Q02127 4/20 0.63
ALDH1A1 P00352 2/20 0.58
HSD17B10 Q99714 2/20 0.58
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
RXFP1 Q9HBX9 2/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 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
NCOR2 Q9Y618 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) EPRS1DHODHALDH1A1HSD17B10PTGES
SCHEMBL1901465 0.87 KDM4E (0.69) DHODHALDH1A1HSD17B10PTGESALOX5
SCHEMBL15919434 0.85 EPRS1 (0.59) EPRS1DHODHHSD17B10HIF1ARXFP1
SCHEMBL117388 0.83 EPRS1 (1.00) EPRS1DHODHALDH1A1HSD17B10PTGES
SCHEMBL117422 0.83 PTGES (0.84) EPRS1DHODHALDH1A1HSD17B10PTGES
SCHEMBL5792900 0.83 DHODH (0.78) EPRS1DHODHALDH1A1HSD17B10PTGES
SCHEMBL26074001 0.83 KDM4E (0.70) DHODHALDH1A1HSD17B10PTGESALOX5
SCHEMBL5530291 0.82 EPRS1 (0.85) EPRS1DHODHALDH1A1HSD17B10PTGES
SCHEMBL12237494 0.82 RXFP1 (0.75) EPRS1DHODHALDH1A1HSD17B10PTGES
SCHEMBL1899098 0.81 RXFP1 (0.79) EPRS1DHODHALDH1A1HSD17B10HPGD

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 13/4885DHODH 2635/4885ALDH1A1 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.