SCHEMBL922597

SCHEMBL922597

O=[N+]([O-])c1cccc(CN2CCCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
KDM4E B2RXH2 4/20 0.70
TDP1 Q9NUW8 1/20 0.70
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
MAPK1 P28482 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
POLB P06746 2/20 0.65
LMNA P02545 1/20 0.65
MAPT P10636 1/20 0.65
NPSR1 Q6W5P4 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.61
SIGMAR1 Q99720 2/20 0.60
CACNB4 O00305 1/20 0.59
CACNA1A O00555 1/20 0.59
CACNA1G O43497 1/20 0.59
CACNG3 O60359 1/20 0.59
CACNA1F O60840 1/20 0.59
CACNA1H O95180 1/20 0.59
CACNB3 P54284 1/20 0.59

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
SCHEMBL922442 0.98 ALDH1A1 (0.68) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL3568406 0.98 ALDH1A1 (0.68) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL15800712 0.93 ALDH1A1 (0.78) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL5578769 0.88 ALDH1A1 (0.67) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL374227 0.86 ALDH1A1 (0.73) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL29531890 0.86 ALDH1A1 (0.65) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL28677028 0.86 ALDH1A1 (0.65) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL357155 0.86 ALDH1A1 (0.67) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL2716970 0.86 ALDH1A1 (0.73) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL2657985 0.86 ALDH1A1 (0.65) ALDH1A1KDM4ETDP1MEN1KMT2A

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 64 patents — showing the first 20. 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
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
WO-2018209030-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS RTI INTERNATIONAL (US) 2018-11-15 WO disclosed
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 EP disclosed
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
EP-1562898-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
EP-1450791-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Kinetek Pharmaceuticals, Inc. (CA) 2004-09-01 EP disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 WO disclosed
US-6710044-B2 Technical field NEUROSEARCH A/S (DK) 2004-03-23 US disclosed
US-20030166638-A1 Benzimidazole's used as aminobutyric acid receptor modulators, for prophylaxis of nervous system disorders such as anxiety, sleep disorders, epilepsia or convulsions NEUROSEARCH A/S 2003-09-04 US disclosed
WO-2003045379-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS KINETEK PHARMACEUTICALS, INC. (CA) 2003-06-05 WO disclosed
US-6503925-B1 Treating anxiety, anesthesia, and epilepsy NEUROSEARCH A/S (DK) 2003-01-07 US disclosed
US-6218547-B1 1-phenyl-benzimidazole compounds and their use as GABA-a receptor modulators NEUROSEARCH A/S (DK) 2001-04-17 US disclosed
EP-0934281-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-08-11 EP disclosed
WO-1998017651-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA-A RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1998-04-30 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-20030166638-A1 Benzimidazole's used as aminobutyric acid receptor modulators, for prophylaxis of nervous system disorders such as anxiety, sleep disorders, epilepsia or convulsions GABRA1, GABRA2, GABRA4 ALDH1A1 192/4885KDM4E 1061/4885TDP1 1904/4885
US-12358869-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 ALDH1A1 2918/4885KDM4E 1019/4885TDP1 4211/4885
US-11084781-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 ALDH1A1 2918/4885KDM4E 1019/4885TDP1 4211/4885
US-20200062699-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 ALDH1A1 2918/4885KDM4E 1019/4885TDP1 4211/4885
US-20210332007-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 ALDH1A1 2918/4885KDM4E 1019/4885TDP1 4211/4885

“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.