SCHEMBL978142

SCHEMBL978142

CC(C)(C)OC(=O)n1cccc1-c1cccc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
TNK2 Q07912 1/20 0.43
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
NR1H2 P55055 2/20 0.40
SCN3A Q9NY46 5/20 0.39
SCN4A P35499 3/20 0.39
SCN9A Q15858 1/20 0.38
BUB1 O43683 1/20 0.37
BCHE P06276 1/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ACLY P53396 1/20 0.36
ATR Q13535 1/20 0.36
FYN P06241 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL17673749 0.85 HSP90AA1 (0.55) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL25594955 0.84 HSP90AA1 (0.53) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL30918979 0.84 HSP90AA1 (0.49) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL31226651 0.83 HSP90AA1 (0.55) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL12450000 0.83 HSP90AA1 (0.52) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL2916486 0.82 HSP90AA1 (0.48) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL30918977 0.82 HSP90AA1 (0.47) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL29196622 0.82 HSP90AA1 (0.47) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL546539 0.81 HSP90AA1 (0.50) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL30885563 0.81 HSP90AA1 (0.46) HSP90AA1HSP90AB1PIK3R1PIK3CASCN3A

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-12358869-B2 Diarylureas as CB1 allosteric modulators RESEARCH TRIANGLE INSTITUTE 2025-07-15 US disclosed
CN-116283668-A Diaryl ureas as CB1 allosteric modulators 研究三角协会 2023-06-23 CN disclosed
US-20210332007-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE 2021-10-28 US disclosed
US-11084781-B2 Diarylureas as CB1 allosteric modulators RESEARCH TRIANGLE INSTITUTE (US) 2021-08-10 US disclosed
US-20200062699-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-27 US disclosed
CN-110621656-A Diaryl ureas as CB1 allosteric modulators 研究三角协会 2019-12-27 CN disclosed
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
CN-101965189-A Activators of pro-caspase 3, 6 and 7 UNIV CALIFORNIA 2011-02-02 CN disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO disclosed
EP-0944598-B1 SUBSTITUTED BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-09-24 EP disclosed
US-6395759-B1 PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-28 US disclosed
EP-0944598-A2 SUBSTITUTED BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1999-09-29 EP disclosed
WO-1998024764-A2 SUBSTITUTED BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM P.L.C. (GB) 1998-06-11 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 (5 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-12358869-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 HSP90AA1 4045/4885HSP90AB1 3841/4885TNK2 1128/4885
US-11084781-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 HSP90AA1 4045/4885HSP90AB1 3841/4885TNK2 1128/4885
US-20200062699-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 HSP90AA1 4045/4885HSP90AB1 3841/4885TNK2 1128/4885
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 HSP90AA1 1679/4885HSP90AB1 1759/4885TNK2 2666/4885
US-20210332007-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 HSP90AA1 4045/4885HSP90AB1 3841/4885TNK2 1128/4885

“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.