SCHEMBL6791597

SCHEMBL6791597

COc1ccc2nc(C)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.59
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.50
TLR4 O00206 1/20 0.49
XDH P47989 1/20 0.49
NLRP3 Q96P20 1/20 0.49
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA3 P07451 1/20 0.47
AKR1B1 P15121 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 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
SCHEMBL29447082 0.85 RAB9A (0.61) APPLMNARAB9AKDM4EALDH1A1
SCHEMBL5228689 0.85 RAB9A (0.61) APPLMNARAB9AKDM4EALDH1A1
SCHEMBL12744060 0.82 F2RL3 (0.49) APPLMNARAB9AALDH1A1POLB
SCHEMBL12778280 0.80 APP (0.54) APPLMNARAB9ATLR4XDH
SCHEMBL558021 0.80 PIK3CG (0.56) APPLMNARAB9ATLR4XDH
SCHEMBL3204008 0.80 APP (0.54) APPLMNARAB9ATLR4XDH
SCHEMBL2421219 0.80 APP (0.54) APPLMNARAB9ATLR4XDH
Coixol SCHEMBL29999166 0.80 APP (0.54) APPLMNARAB9ATLR4XDH
SCHEMBL2419604 0.80 APP (0.54) APPLMNARAB9ATLR4XDH
SCHEMBL19756721 0.80 STS (0.52) APPLMNARAB9AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11209582-B2 Composition, curable composition, cured film, near infrared cut filter, infrared transmitting filter, solid image pickup element, infrared sensor, and camera module FUJIFILM CORPORATION (JP) 2021-12-28 US disclosed
US-11066537-B2 Composition, film, infrared cut filter, solid image pickup element, infrared sensor, camera module, and novel compound FUJIFILM CORPORATION (JP) 2021-07-20 US disclosed
US-10889719-B2 Fluorescent dye, preparation method therefor and use thereof SHENZHEN UNIVERSITY (CN) 2021-01-12 US disclosed
EP-3744810-A1 FLUORESCENT DYE, PREPARATION METHOD THEREFOR AND USE THEREOF Shenzhen University (CN) 2020-12-02 EP disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-09-17 US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
EP-2500345-B1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2015-01-28 EP disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
US-20040116435-A1 Benzimidazol derivatives modulate chemokine receptors ASTRAZENECA AB (SE) 2004-06-17 US disclosed
US-20030162766-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. 2003-08-28 US disclosed
US-6369074-B1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. 2002-04-09 US disclosed
US-20010023248-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists HOWARD HARRY R (US) 2001-09-20 US disclosed
US-5854262-A Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. (US) 1998-12-29 US disclosed
EP-0806423-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance p antagonists PFIZER INC. (US) 1997-11-12 EP disclosed
EP-0675886-A1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1995-10-11 EP disclosed
WO-1994013663-A1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO disclosed
US-4861897-A 2-Aryloxyalkylaminobenzoxazoles and 2-aryloxyalkylaminobenzothiazoles ORTHO PHARMACEUTICAL CORPORATION (US) 1989-08-29 US disclosed
US-4539408-A Process for the preparation of sulphoalkyl quaternary salts AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1985-09-03 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 (6 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-20010023248-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists NPY1R, OPRK1, OPRL1 APP 285/4885LMNA 2762/4885RAB9A 3335/4885
US-20030162766-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists NPY1R, OPRK1, TACR1 APP 302/4885LMNA 2987/4885RAB9A 3166/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 APP 1026/4885LMNA 2215/4885RAB9A 333/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 APP 1026/4885LMNA 2215/4885RAB9A 333/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 APP 1026/4885LMNA 2215/4885RAB9A 333/4885
US-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY11, P2RY2 APP 3154/4885LMNA 3965/4885RAB9A 2900/4885

“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.