SCHEMBL7910366

SCHEMBL7910366

Clc1cc(Cl)cc(C=CBr)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.54
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
EGFR P00533 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PPARG P37231 1/20 0.32
PTPRC P08575 1/20 0.31

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
SCHEMBL31265285 0.75 CYP1A2 (0.57)
SCHEMBL2992524 0.74 AHR (0.56) AHRTSHRTP53CYP3A4CA12
SCHEMBL651464 0.72 AHR (0.54) AHR
SCHEMBL651465 0.72 AHR (0.54) AHR
SCHEMBL73815 0.72 AHR (0.54) AHRTSHRTP53CYP3A4CA12
SCHEMBL18851547 0.72 AHR (0.54) AHRTSHRTP53CYP3A4
SCHEMBL5046561 0.72 AHR (0.48) AHRTSHRTP53CYP3A4
SCHEMBL2088489 0.72 AHR (0.48) AHRTSHRCA12CA1CA2
SCHEMBL2088491 0.72 AHR (0.48) AHRTSHRCA12CA1CA2
SCHEMBL6460048 0.70 AHR (1.00) AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131401-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-05-23 US disclosed
US-20130131401-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-05-23 US disclosed
US-8378122-B2 Process for the preparation of chymase modulators JANSSEN PHARMACEUTICA NV. (BE) 2013-02-19 US disclosed
US-8378122-B2 Process for the preparation of chymase modulators JANSSEN PHARMACEUTICA NV. (BE) 2013-02-19 US disclosed
US-20120309986-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS ANZALONE LUIGI (US) 2012-12-06 US disclosed
US-20120309986-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS ANZALONE LUIGI (US) 2012-12-06 US disclosed
US-8263785-B2 Process for the preparation of chymase modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-11 US disclosed
US-8263785-B2 Process for the preparation of chymase modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-11 US disclosed
US-20100145075-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-10 US disclosed
US-20100145075-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-10 US disclosed
WO-2010051372-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-06 WO 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-20130131401-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS CMA1, SERPINB1, CPA3 AHR 3512/4885TSHR 3552/4885TP53 4298/4885
US-20120309986-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS CMA1, SERPINB1, CPA3 AHR 3512/4885TSHR 3552/4885TP53 4298/4885
US-20100145075-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS CMA1, SERPINB1, CPA3 AHR 3512/4885TSHR 3552/4885TP53 4298/4885

“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.