SCHEMBL128934

SCHEMBL128934

Cc1ccc(CCl)c(Br)c1C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PON1 P27169 1/20 0.40
NCEH1 Q6PIU2 1/20 0.34
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL2495516 0.78 PON1 (0.43) PON1
SCHEMBL6406593 0.77 NCEH1 (0.34) NCEH1GABRA1GABRB2
SCHEMBL127910 0.77 NCEH1 (0.38) NCEH1GABRA1GABRB2
Phosphine SCHEMBL15203731 0.76 PON1 (0.42) PON1
Ammonia Solution, Strong SCHEMBL136349 0.76 PON1 (0.46) PON1
SCHEMBL8609878 0.74 PON1 (0.41) PON1
SCHEMBL16752213 0.73 GABRA1 (0.44) GABRA1GABRB2
SCHEMBL15655659 0.73 PON1 (0.40) PON1GABRA1GABRB2
SCHEMBL30831842 0.73 GABRA1 (0.44) GABRA1GABRB2
SCHEMBL29168488 0.73 GABRA1 (0.30) GABRA1GABRB2

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-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (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 (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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 PON1 3662/4885NCEH1 3014/4885GABRA1 4395/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PON1 2541/4885NCEH1 990/4885GABRA1 4802/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PON1 2641/4885NCEH1 1101/4885GABRA1 4827/4885

“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.