SCHEMBL117386

SCHEMBL117386

COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2ccc(Br)cc2)nc2c(C)cc(Cl)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 3/20 0.62
RXFP1 Q9HBX9 2/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
PYGL P06737 1/20 0.45
CDK2 P24941 3/20 0.45

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
SCHEMBL117217 1.00 TACR3 (0.62) TACR3RXFP1TP53KDM4EALDH1A1
SCHEMBL6451947 0.78 TACR3 (1.00) TACR3KDM4EALDH1A1
SCHEMBL7532008 0.78 TACR3 (1.00) TACR3KDM4EALDH1A1
SCHEMBL116047 0.76 EPRS1 (0.63) ALDH1A1
SCHEMBL8619775 0.73 PPARA (0.64) KDM4EALDH1A1PKM
SCHEMBL117389 0.71 DHODH (0.48) RXFP1TP53
SCHEMBL8618914 0.71 CYP2C9 (0.46) RXFP1TP53ALDH1A1
SCHEMBL15145372 0.70 ALDH1A1 (0.55) TACR3KDM4EALDH1A1PKM
SCHEMBL15145366 0.70 ALDH1A1 (0.55) TACR3KDM4EALDH1A1PKM
Hydrochloric Acid SCHEMBL8619359 0.70 CYP2C9 (0.46) RXFP1TP53ALDH1A1

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 1 patent. 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

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 TACR3 4284/4885RXFP1 1205/4885TP53 2745/4885

“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.