SCHEMBL458361

SCHEMBL458361

CCOc1cc[c]c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.44
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ESR2 Q92731 1/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
LTA4H P09960 2/20 0.35
CA12 O43570 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
SCHEMBL8407097 0.85 NQO1 (0.34) NQO1TP53CYP3A4TDP1CYP1A2
SCHEMBL919955 0.85 KMT2A (0.40) MEN1KMT2ATSHRMAPTCYP1A2
SCHEMBL921591 0.84 NCF1 (0.43) MEN1KMT2ATSHRTDP1MAPT
SCHEMBL920483 0.83 LTA4H (0.42) CYP3A4MEN1NPC1KMT2ATSHR
SCHEMBL920840 0.83 KDM4E (0.40) KMT2ATDP1ALDH1A1HPGDCYP1A2
SCHEMBL920962 0.83 KDM4E (0.40) TSHRTDP1ALDH1A1HPGDCYP1A2
SCHEMBL920839 0.82 TSHR (0.46) TP53KMT2ATSHRLTA4H
SCHEMBL12987063 0.82
SCHEMBL919182 0.81 SMN1; SMN2 (0.39) TSHRALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL919990 0.81 SMN1; SMN2 (0.39) TSHRALDH1A1HPGDCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6515133-B1 Certain diaryl imidazoles act as partial agonists or antagonists for NPY receptors, in particular NPY 5 receptors. They are of use, for example in treating loss of appetite. Such compounds bear aryl groups in the 2 position. NEUROGEN CORPORATION 2003-02-04 US claimed
US-6448259-B1 CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; AGONISTS, ANTAGONISTS OR INVERSE AGONISTS FOR GAMMA AMINOBUTYRIC ACID BINDING SITE, THE BENZODIAZEPINE RECEPTOR; ANXIETY, SLEEP AND SEIZURE DISORDERS SEDATIVE, ANXIOLYTIC AND ANTICONVULSANT ACTIVITY NEUROGEN CORPORATION 2002-09-10 US claimed
US-6124341-A A DRUG FOR TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, RESTENOSIS FOLLOWING ARTERIAL INJURY, CEREBRAL OR MYOCARDIAL ISCHEMIA OR ATHEROSCLEROSIS; VASODILUTOR ABBOTT LABORATORIES (US) 2000-09-26 US claimed
US-6121260-A Method of treating conditions susceptible to modulation of NPY receptors with diarylimidazole derivatives NEUROGEN CORPORATION (US) 2000-09-19 US claimed
EP-0996443-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-05-03 EP claimed
EP-0991620-A1 PYRROLIDINE CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 2000-04-12 EP claimed
WO-1999001128-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-01-14 WO claimed
WO-1998057933-A1 PYRROLIDINE CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1998-12-23 WO claimed
US-11678571-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2023-06-13 US disclosed
CN-110473989-B Method for manufacturing organic light emitting element 株式会社LG化学 2022-05-27 CN disclosed
US-20210376247-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE IDEMITSU KOSAN CO., LTD. (JP) 2021-12-02 US disclosed
US-11147272-B2 Pyridone compounds and agricultural and horticultural fungicides comprising the same as active ingredients MITSUI CHEMICALS ARGRO, INC. (JP) 2021-10-19 US disclosed
US-11152574-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2021-10-19 US disclosed
US-11094888-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2021-08-17 US disclosed
WO-1999001128-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-01-14 WO disclosed
EP-0885215-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1998-12-23 EP disclosed
WO-1998057933-A1 PYRROLIDINE CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1998-12-23 WO disclosed
WO-1997030045-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1997-08-21 WO disclosed
US-4725608-A ANTIINFLAMMATORY, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-16 US disclosed
EP-0144853-A2 Semicarbazide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-06-19 EP 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-11152574-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle RPL21, RPS21, AOC2 NQO1 134/4885TP53 4244/4885CYP3A4 1218/4885
US-11678571-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle RPS17, RPS19, CDK17 NQO1 457/4885TP53 4658/4885CYP3A4 1236/4885
US-11094888-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle SLC18A1, SLC18A2, AOC2 NQO1 666/4885TP53 4775/4885CYP3A4 114/4885
US-11147272-B2 Pyridone compounds and agricultural and horticultural fungicides comprising the same as active ingredients PNPO, PDXK, PLPBP NQO1 300/4885TP53 3736/4885CYP3A4 40/4885
US-20210376247-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE RPS17, RPS19, CDK17 NQO1 457/4885TP53 4658/4885CYP3A4 1236/4885

“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.