SCHEMBL2362891

SCHEMBL2362891

CCCCCc1ccn[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.39
GPR84 Q9NQS5 3/20 0.38
HCAR2 Q8TDS4 3/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
ALOX5 P09917 1/20 0.35
TYR P14679 1/20 0.35
ALOX15 P16050 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
SCHEMBL27876765 0.95 CYP1A2 (0.40) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL10366084 0.87 GLA (0.35) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL797702 0.81
SCHEMBL27791940 0.74 TYMP (0.44) MAPTHCAR2MEN1HTTKMT2A
SCHEMBL658444 0.73 USP2 (0.55) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL4372160 0.72 PARP1 (0.38) MAPTGPR84HCAR2ALOX15HCAR3
SCHEMBL25530345 0.72 USP2 (0.53) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL26432247 0.72 USP2 (0.53) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL18649060 0.72 USP2 (0.53) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL8138860 0.71 UTS2R (0.43) GPR84

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106536487-A 5- (hetero) arylpyridazinones and their use as herbicides 拜耳作物科学股份公司 2017-03-22 CN claimed
CN-106458927-A 2-(hetero)aryl-pyridazinones and their use as herbicides 拜耳作物科学股份公司 2017-02-22 CN claimed
CN-106316962-A 3-aryl pyridazinone compound, preparation method, pesticide composition and application 中国科学院上海有机化学研究所 2017-01-11 CN claimed
EP-4076456-B1 SIGMA-1 RECEPTOR LIGANDS AND THERAPEUTIC USES THEREOF UNIV STRASBOURG (FR) 2024-05-01 EP disclosed
EP-4077310-B1 SIGMA-1 RECEPTOR LIGANDS AND USES THEREOF UNIV STRASBOURG (FR) 2024-05-01 EP disclosed
US-20230076057-A1 SIGMA-1 RECEPTOR LIGANDS AND THERAPEUTIC USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2023-03-09 US disclosed
US-20230049619-A1 SIGMA-1 RECEPTOR LIGANDS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2023-02-16 US disclosed
EP-4076456-A1 SIGMA-1 RECEPTOR LIGANDS AND THERAPEUTIC USES THEREOF Université de Strasbourg (FR) 2022-10-26 EP disclosed
WO-2021123145-A1 SIGMA-1 RECEPTOR LIGANDS AND USES THEREOF UNIVERSITE DE STRASBOURG (FR) 2021-06-24 WO disclosed
WO-2021123174-A1 SIGMA-1 RECEPTOR LIGANDS AND THERAPEUTIC USES THEREOF UNIVERSITE DE STRASBOURG (FR) 2021-06-24 WO disclosed
CN-109906082-A Use the combined therapy of immune DASH inhibitor and PGE2 antagonist 塔夫茨大学信托人 2019-06-18 CN disclosed
EP-1636233-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2006-03-22 EP disclosed
WO-2005061504-A1 BICYCLIC PYRIDAZINONE CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2005-07-07 WO disclosed
WO-2004108728-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-12-16 WO disclosed
US-20040248881-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-12-09 US disclosed
CN-1167687-C Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ���Ͽع����޹�˾ 2004-09-22 CN disclosed
CN-1277605-A Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2000-12-20 CN disclosed
US-4177273-A CENTRAL NERVOUS SYSTEM DEPRESSANTS SANDOZ, INC. (US) 1979-12-04 US disclosed
US-4004009-A Antihypertensive aryl pyrazolo[4,3-c]pyridazinones SANDOZ, INC. (US) 1977-01-18 US disclosed
US-4004009-A Antihypertensive aryl pyrazolo[4,3-c]pyridazinones SANDOZ, INC. (US) 1977-01-18 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 (3 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-20040248881-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CYP3A4 2204/4885CYP1A2 1245/4885CYP2D6 1698/4885
US-20230076057-A1 SIGMA-1 RECEPTOR LIGANDS AND THERAPEUTIC USES THEREOF SIGMAR1, OPRL1, TMEM97 CYP3A4 1857/4885CYP1A2 1009/4885CYP2D6 1746/4885
US-20230049619-A1 SIGMA-1 RECEPTOR LIGANDS AND USES THEREOF SIGMAR1, TMEM97, OPRL1 CYP3A4 1818/4885CYP1A2 942/4885CYP2D6 1735/4885

“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.