SCHEMBL5813680

SCHEMBL5813680

CCN(CC)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
MAPT P10636 4/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TSHR P16473 4/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ACHE P22303 1/20 0.52
MAPK1 P28482 1/20 0.51
CYP3A4 P08684 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL7467742 0.88 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL7467722 0.88 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL11681034 0.88 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL10651901 0.84 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL11792227 0.83 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL1468921 0.81 CYP1A2 (0.56) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL11790769 0.81 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL4196697 0.81 NR1H2 (0.49) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL1413129 0.79 TSHR (0.61) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL30780918 0.79 TSHR (0.61) ALDH1A1MAPTMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006126011-A2 SPECTRAL NOSE UNIVERSITY OF STRATHCLYDE (GB) 2006-11-30 WO claimed
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
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 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
CN-101189209-A C5a receptor antagonists JERINI AG (DE) 2008-05-28 CN disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
US-4752621-A Arylalkyl amines useful for lowering intraocular pressure SYNTEX (U.S.A.) INC. (US) 1988-06-21 US disclosed
US-4642378-A Arylalkyl amines useful for lowering intraocular pressure SYNTEX (U.S.A.) INC. (US) 1987-02-10 US disclosed
US-4115413-A ACID FREE BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 US disclosed
US-4045458-A FRIEDEL-CRAFTS CATALYSTS KANZAKI PAPER MANUFACTURING CO., LTD. (JA) 1977-08-30 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed
US-4002631-A HEAT-SENSITIVE COLOR FORMERS HODOGAYA CHEMICAL CO., LTD. (JA) 1977-01-11 US disclosed
US-3971821-A Production of aminobenzaldehydes BASF AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3930671-A Color former and pressure-sensitive copying paper FUJI PHOTO FILM CO., LTD. (JA) 1976-01-06 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 (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-12358869-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 ALDH1A1 2918/4885MAPT 2523/4885MEN1 3226/4885
US-11084781-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 ALDH1A1 2918/4885MAPT 2523/4885MEN1 3226/4885
US-20200062699-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 ALDH1A1 2918/4885MAPT 2523/4885MEN1 3226/4885
US-20210332007-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 ALDH1A1 2918/4885MAPT 2523/4885MEN1 3226/4885

“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.