SCHEMBL10245415

SCHEMBL10245415

CC(C)(C)Cc1ccc(Br)nc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
CYP11B1 P15538 1/20 0.43
PARP1 P09874 1/20 0.40
GRM2 Q14416 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
TRPV6 Q9H1D0 1/20 0.33
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL25377399 0.86 CYP11B1 (0.40) ESR1CYP11B1PARP1GRM2ALDH1A1
SCHEMBL18687273 0.84 CYP11B1 (0.39) CYP11B1GRM2
SCHEMBL14238616 0.81 ESR1 (0.43) ESR1ALDH1A1THRATHRB
SCHEMBL14405732 0.81 CYP11B1 (0.42) CYP11B1PARP1GRM2ALDH1A1CHRNB2
SCHEMBL10223944 0.78 ESR1 (0.45) ESR1ALDH1A1THRATHRB
SCHEMBL2625505 0.78 ESR1 (0.45) ESR1ALDH1A1THRATHRBSMN1; SMN2
SCHEMBL2180629 0.77
SCHEMBL31728193 0.77
SCHEMBL924155 0.77 ESR1 (0.43) ESR1CYP11B1ALDH1A1THRATHRB
SCHEMBL2611192 0.77 ESR1 (0.43) ESR1ALDH1A1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105503-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-19 US disclosed
US-20180105503-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-19 US disclosed
US-9771337-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-09-26 US disclosed
US-20170088526-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-03-30 US disclosed
US-9499487-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-11-22 US disclosed
US-9314025-B2 Mixtures of mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2016-04-19 US disclosed
US-9018220-B2 Mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-04-28 US disclosed
US-20140187776-A1 MIXTURES OF MESOIONIC PESTICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-07-03 US disclosed
US-8552007-B2 Mesoionic pesticides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-10-08 US disclosed
US-20120309724-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-12-06 US disclosed
US-20120115722-A1 MIXTURES OF MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-10 US disclosed
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-8008327-B2 Indazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-30 US disclosed
US-20110034512-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-10 US disclosed
US-20100323887-A1 MESOIONIC PESTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-23 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 (8 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-20120309724-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ESR1 2485/4885CYP11B1 2855/4885PARP1 1618/4885
US-20140187776-A1 MIXTURES OF MESOIONIC PESTICIDES DDT, C5, CBR3 ESR1 4809/4885CYP11B1 1491/4885PARP1 4596/4885
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCRL2 ESR1 3617/4885CYP11B1 1404/4885PARP1 1910/4885
US-20100323887-A1 MESOIONIC PESTICIDES DDT, CHRM1, CHRM3 ESR1 4356/4885CYP11B1 968/4885PARP1 4739/4885
US-20110034512-A1 Indazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCRL2 ESR1 3617/4885CYP11B1 1404/4885PARP1 1910/4885
US-20180105503-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ESR1 2485/4885CYP11B1 2855/4885PARP1 1618/4885
US-20170088526-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ESR1 2485/4885CYP11B1 2855/4885PARP1 1618/4885
US-20120115722-A1 MIXTURES OF MESOIONIC PESTICIDES DDT, C5, CBR3 ESR1 4809/4885CYP11B1 1491/4885PARP1 4596/4885

“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.