SCHEMBL1640915

SCHEMBL1640915

Clc1cc(CBr)ccc1I

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
IDO1 P14902 3/20 0.37
CYP3A4 P08684 1/20 0.35
PNMT P11086 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TRPA1 O75762 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR1 P21453 1/20 0.32
PYCR1 P32322 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
CA2 P00918 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL27886393 0.83 PNMT (0.41) IDO1CYP3A4PNMTTAAR1ALDH1A1
SCHEMBL5158103 0.82 CYP4F2 (0.42) CYP4F2CYP4A11IDO1CYP3A4PNMT
SCHEMBL30797232 0.78 TRPA1 (0.38) CYP4F2CYP4A11ALDH1A1TRPA1TSHR
SCHEMBL29413271 0.78 IDO1 (0.58) CYP4F2CYP4A11IDO1PNMTTAAR1
SCHEMBL10128 0.78 IDO1 (0.58) CYP4F2CYP4A11IDO1PNMTTAAR1
SCHEMBL11484838 0.78 TRPA1 (0.38) CYP4F2CYP4A11ALDH1A1TRPA1TSHR
SCHEMBL5085456 0.77 IDO1 (0.37) IDO1CYP3A4PNMTTAAR1SIGMAR1
SCHEMBL2951140 0.77 TRPA1 (0.41) IDO1CYP3A4PNMTTAAR1ALDH1A1
SCHEMBL6113228 0.77 RECQL (0.42) IDO1CYP3A4PNMTTAAR1TSHR
SCHEMBL1964765 0.76 IDO1 (0.56) CYP4F2CYP4A11IDO1PNMTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491035-B1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS GILEAD SCIENCES INC (US) 2017-08-30 EP disclosed
US-9161934-B2 Derivatives of purine or deazapurine useful for the treatment of (inter alia) viral infections GILEAD SCIENCES, INC. (US) 2015-10-20 US disclosed
US-20150126509-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS GILEAD SCIENCES, INC. 2015-05-07 US disclosed
US-8962652-B2 Derivatives of purine or deazapurine useful for the treatment of (inter alia) viral infections GILEAD SCIENCES, INC. (US) 2015-02-24 US disclosed
US-20140128389-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2014-05-08 US disclosed
US-8507507-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2013-08-13 US disclosed
EP-2491035-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS Gilead Sciences, Inc. (US) 2012-08-29 EP disclosed
WO-2011049825-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-04-28 WO disclosed
US-20110098248-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2011-04-28 US disclosed
US-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 US disclosed
EP-0594019-B1 1-Biphenylmethyl-pyridone derivatives, their preparation and their use as angiotensin II antagonistes BAYER AG (DE) 2000-02-23 EP disclosed
US-5863930-A ATHEROSCLEROSIS TREATMENT FORMED BY REACTION OF PYRIDONES WITH BIPHENYLMETHYL HALOGEN BAYER AKTIENGESELLSCHAFT (DE) 1999-01-26 US disclosed
CN-1040435-C Trisubstituted biphenyls BAYER AG (DE) 1998-10-28 CN disclosed
US-5596006-A ANTIHYPERTENSIVE, ANTIATHEROSCLEROTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-01-21 US disclosed
CN-1089260-A Trisubstituted biphenyls BAYER AG (DE) 1994-07-13 CN disclosed
EP-0594019-A1 Trisubstituted biphenyl as angiotensin II antagonistes BAYER AG (DE) 1994-04-27 EP 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 (4 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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 CYP4F2 962/4885CYP4A11 675/4885IDO1 972/4885
US-20150126509-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS ENTPD5, MAVS, TPMT CYP4F2 3053/4885CYP4A11 3352/4885IDO1 470/4885
US-20140128389-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS ENTPD5, MAVS, TPMT CYP4F2 3053/4885CYP4A11 3352/4885IDO1 470/4885
US-20110098248-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR6, TLR1 CYP4F2 4291/4885CYP4A11 4411/4885IDO1 3160/4885

“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.