SCHEMBL6804031

SCHEMBL6804031

O=[N+]([O-])c1cccc(-c2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
LMNA P02545 2/20 0.64
ALDH1A1 P00352 5/20 0.62
NPC1 O15118 4/20 0.62
RAB9A P51151 3/20 0.62
MAPT P10636 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NFE2L2 Q16236 1/20 0.56
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 2/20 0.54
PGR P06401 1/20 0.54
ACHE P22303 1/20 0.53
ALOX15 P16050 1/20 0.53
TP53 P04637 1/20 0.53
PTPRC P08575 1/20 0.53

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
SCHEMBL30469335 1.00 TSHR (0.64) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL2009026 0.98 TSHR (0.67) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL29526232 0.98 TSHR (0.67) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL7838339 0.96 LMNA (0.64) TSHRLMNAALDH1A1NPC1RAB9A
Iodide SCHEMBL27148619 0.96 TSHR (0.64) TSHRLMNAALDH1A1NPC1RAB9A
Formaldehyde SCHEMBL28138818 0.94 TSHR (0.61) TSHRLMNAALDH1A1NPC1RAB9A
Dinitrophenylene SCHEMBL27704073 0.91 TSHR (0.77) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL6738366 0.91 TSHR (0.76) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL936227 0.90 LMNA (0.57) TSHRLMNAALDH1A1NPC1RAB9A
Iodide SCHEMBL30804629 0.89 TSHR (0.73) TSHRLMNAALDH1A1NPC1RAB9A

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
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-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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 TSHR 569/4885LMNA 4699/4885ALDH1A1 2918/4885
US-11084781-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 TSHR 569/4885LMNA 4699/4885ALDH1A1 2918/4885
US-20200062699-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 TSHR 569/4885LMNA 4699/4885ALDH1A1 2918/4885
US-20210332007-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 TSHR 569/4885LMNA 4699/4885ALDH1A1 2918/4885
US-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 TSHR 916/4885LMNA 3681/4885ALDH1A1 339/4885

“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.