SCHEMBL1622291

SCHEMBL1622291

CC(C)(C)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
NFKB1 P19838 1/20 0.56
RAB9A P51151 1/20 0.56
NFKB2 Q00653 1/20 0.56
KMT2A Q03164 1/20 0.56
RELA Q04206 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 2/20 0.52
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
PGR P06401 7/20 0.50
NPBWR1 P48145 1/20 0.50
ACHE P22303 1/20 0.49
TDP2 O95551 2/20 0.48
PTPRC P08575 1/20 0.48
MMP2 P08253 1/20 0.46

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
SCHEMBL30469256 1.00 MAPT (0.56) MAPTLMNAALDH1A1MEN1NPC1
SCHEMBL2608412 0.88 KEAP1 (0.59) MAPTLMNAALDH1A1MEN1NPC1
SCHEMBL30363830 0.87 TSHR (0.48) MAPTLMNAALDH1A1MEN1NPC1
SCHEMBL30469296 0.87 LMNA (0.52) MAPTLMNAALDH1A1MEN1NPC1
SCHEMBL20557478 0.87 LMNA (0.52) MAPTLMNAALDH1A1MEN1NPC1
SCHEMBL15293412 0.86 RXRA (0.46) MAPTLMNAALDH1A1MEN1NPC1
SCHEMBL7838339 0.82 LMNA (0.64) MAPTLMNAALDH1A1MEN1NPC1
SCHEMBL4516641 0.82 TSHR (0.64) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL2660487 0.82 NPBWR1 (0.54) MAPTLMNAALDH1A1MEN1NPC1
SCHEMBL6738366 0.82 TSHR (0.76) MAPTLMNAALDH1A1MEN1NPC1

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-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
EP-3621951-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS Research Triangle Institute (US) 2020-03-18 EP 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
WO-2018209030-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS RTI INTERNATIONAL (US) 2018-11-15 WO disclosed
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-12 US disclosed
US-7947684-B2 anticoagulants; immunomoderators; antiinflammatory agents AVENTIS PHARMACEUTICALS INC. (US) 2011-05-24 US disclosed
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-05 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 (6 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 MAPT 2523/4885LMNA 4699/4885ALDH1A1 2918/4885
US-11084781-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 MAPT 2523/4885LMNA 4699/4885ALDH1A1 2918/4885
US-20200062699-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 MAPT 2523/4885LMNA 4699/4885ALDH1A1 2918/4885
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function ATP5F1A, ATP5MF, MT-ATP6 MAPT 2229/4885LMNA 2704/4885ALDH1A1 1703/4885
US-20210332007-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 MAPT 2523/4885LMNA 4699/4885ALDH1A1 2918/4885
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 MAPT 2884/4885LMNA 3184/4885ALDH1A1 1177/4885

“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.