SCHEMBL492585

SCHEMBL492585

COc1cccc2[nH]nc(C(=O)O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.48
WNT3A P56704 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TTK P33981 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR2A P28223 1/20 0.46
STAT3 P40763 1/20 0.45
HIF1A Q16665 1/20 0.45
CDK9 P50750 1/20 0.45
DYRK1A Q13627 1/20 0.45
PRKAG1 P54619 2/20 0.45

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
SCHEMBL31686064 0.81 KDM4E (0.60) CTNNB1WNT3AKDM4EALDH1A1NPC1
SCHEMBL1964264 0.81 NPC1 (0.39) CTNNB1WNT3AKDM4EALDH1A1NPC1
SCHEMBL1967068 0.79 PRKAA1 (0.46) CTNNB1WNT3AKDM4ENPC1L3MBTL1
SCHEMBL1966460 0.79 PRKAA1 (0.46) CTNNB1WNT3AKDM4EALDH1A1NPC1
SCHEMBL570533 0.79 HAO1 (0.50) CTNNB1WNT3AKDM4ESTAT3HIF1A
Hydrochloric Acid SCHEMBL9444673 0.78 HAO1 (0.49) CTNNB1WNT3AKDM4ESTAT3HIF1A
SCHEMBL28497966 0.77 PARP1 (0.45) CTNNB1WNT3AKDM4EALDH1A1L3MBTL1
SCHEMBL1967918 0.77 GPR17 (0.43) CTNNB1WNT3AKDM4ESTAT3HIF1A
SCHEMBL16240884 0.76 CTNNB1 (0.44) CTNNB1WNT3AKDM4ESTAT3HIF1A
SCHEMBL28503102 0.76 PARP1 (0.44) CTNNB1WNT3AKDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154974-B1 TRICYCLIC COMPOUNDS AS ALPHA- 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2018-11-14 EP disclosed
US-9796713-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-24 US disclosed
US-20170129892-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-11 US disclosed
EP-3154974-A1 TRICYCLIC COMPOUNDS AS ALPHA- 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2017-04-19 EP disclosed
EP-2742040-B1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-04-06 EP disclosed
WO-2015191401-A1 TRICYCLIC COMPOUNDS AS ALPHA- 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-17 WO disclosed
US-20140309210-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-10-16 US disclosed
EP-2742040-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-06-18 EP disclosed
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2013-08-22 US disclosed
US-8486937-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and use thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2013-07-16 US disclosed
US-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF XIE WENGE (US) 2011-12-29 US disclosed
EP-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 EP disclosed
US-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF SCHUMACHER RICHARD 2010-06-03 US disclosed
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2010-04-29 US disclosed
EP-1940833-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2008-07-09 EP disclosed
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2007-04-05 US disclosed
WO-2007038367-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-04-05 WO disclosed
EP-1735306-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2006-12-27 EP disclosed
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-10-20 US disclosed
WO-2005092890-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-10-06 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 (8 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-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 CTNNB1 1814/4885WNT3A 1682/4885CA12 4801/4885
US-20140309210-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CYP3A43, INSR, CYP2C19 CTNNB1 2549/4885WNT3A 664/4885CA12 2661/4885
US-20170129892-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA6, CHRNA5 CTNNB1 2879/4885WNT3A 2595/4885CA12 2766/4885
US-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 CTNNB1 1164/4885WNT3A 1171/4885CA12 4742/4885
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 CTNNB1 1209/4885WNT3A 1171/4885CA12 4751/4885
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 CTNNB1 1164/4885WNT3A 1171/4885CA12 4742/4885
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 CTNNB1 1814/4885WNT3A 1682/4885CA12 4801/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 CTNNB1 1209/4885WNT3A 1171/4885CA12 4751/4885

“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.