SCHEMBL86365

SCHEMBL86365

Nc1ccccc1-c1ccc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
IDO1 P14902 4/20 0.52
AURKA O14965 2/20 0.46
AURKB Q96GD4 1/20 0.46
INCENP Q9NQS7 1/20 0.46
HSD17B10 Q99714 3/20 0.44
ADORA3 P0DMS8 2/20 0.42
KDR P35968 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
BRD4 O60885 2/20 0.39
ADORA2A P29274 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
BTK Q06187 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL30867600 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1IDO1AURKAAURKB
SCHEMBL21436436 0.88 IDO1 (0.44) ALDH1A1L3MBTL1IDO1AURKAAURKB
SCHEMBL15416821 0.83 KDR (0.47) AURKAAURKBINCENPKDRADORA2A
SCHEMBL29745139 0.83 AURKA (0.43) ALDH1A1L3MBTL1IDO1AURKAAURKB
Hydrochloric Acid SCHEMBL15659571 0.82 IDO1 (0.42) ALDH1A1L3MBTL1IDO1AURKAAURKB
SCHEMBL6865280 0.77 AURKA (0.38) ALDH1A1IDO1AURKAAURKBINCENP
SCHEMBL7800798 0.77 PDPK1 (0.39) ALDH1A1L3MBTL1IDO1AURKAAURKB
SCHEMBL20370293 0.76 AURKA (0.39) AURKAAURKBINCENPKDRADORA2A
Hydrochloric Acid SCHEMBL8099675 0.75 PDPK1 (0.38) ALDH1A1IDO1AURKAAURKBINCENP
SCHEMBL29079111 0.74 KDR (0.42) AURKAAURKBKDRADORA2AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117542666-A Porous ordered graphene/polypyrrole covalent composite supercapacitor electrode material and preparation method and application thereof 华南理工大学 2024-02-09 CN claimed
CN-85106344-A Use contains the imaging system of the photosensitive microcapsules of 4-(4 '-aminophenyl)-pyridine compounds 1987-02-18 CN claimed
CN-119390699-A Synthesis method of pyrrolo [1,2-a ] quinoxaline-4 (5H) -ketone compound 重庆文理学院 2025-02-07 CN disclosed
CN-117542666-A Porous ordered graphene/polypyrrole covalent composite supercapacitor electrode material and preparation method and application thereof 华南理工大学 2024-02-09 CN disclosed
WO-2023224560-A1 ENZYMES AND USES IN BIOCATALYTIC HALOGENATION OF N-HETEROARYLS THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-11-23 WO disclosed
CN-108409743-B Preparation method of alkyl nitrile substituted pyrrolo [1,2-a ] quinoxaline compound 兰州大学 2021-05-04 CN disclosed
EP-3344997-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF Regents of the University of Minnesota (US) 2018-07-11 EP disclosed
WO-2017039778-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-03-09 WO disclosed
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2014-11-06 US disclosed
US-8841330-B2 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC (US) 2014-09-23 US disclosed
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER HEALTHERCARE LLC (US) 2012-06-07 US disclosed
US-20010011135-A1 Omega-carboxyaryl subsituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-02 US disclosed
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-02 US disclosed
WO-2000066563-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2000-11-09 WO disclosed
WO-2000041698-A1 φ-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2000-07-20 WO disclosed
WO-2000042012-A1 φ-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER CORPORATION (US) 2000-07-20 WO disclosed
EP-0927164-A1 8-HYDROXY-7-SUBSTITUTED QUINOLINES AS ANTI-VIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-07 EP disclosed
WO-1998011073-A1 8-HYDROXY-7-SUBSTITUTED QUINOLINES AS ANTI-VIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1998-03-19 WO disclosed
EP-0701428-A1 AGENTS CONTAINING 1,2-NAPTHOQUINONE FOR DYEING KERATIN-CONTAINING FIBRES HENKEL KGAA (DE) 1996-03-20 EP disclosed
WO-1994028862-A1 AGENTS CONTAINING 1,2-NAPTHOQUINONE FOR DYEING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-12-22 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 (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-20010011135-A1 Omega-carboxyaryl subsituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF ALDH1A1 1431/4885L3MBTL1 2594/4885IDO1 2131/4885
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, ARAF, RAF1 ALDH1A1 1887/4885L3MBTL1 2285/4885IDO1 1953/4885
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF ALDH1A1 1800/4885L3MBTL1 2098/4885IDO1 2495/4885
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF ALDH1A1 1392/4885L3MBTL1 2791/4885IDO1 2165/4885

“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.