SCHEMBL196000

SCHEMBL196000

Cc1onc(-c2ccccc2)c1C=Cc1ccc(C(=O)O)cn1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
CASP6 P55212 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
GABRA5 P31644 12/20 0.46
LDHA P00338 1/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL195999 1.00 POLB (0.49) POLBCASP6L3MBTL1MEN1GAA
SCHEMBL195906 0.88 GABRA5 (0.61) POLBCASP6L3MBTL1GABRA5
SCHEMBL195905 0.88 GABRA5 (0.61) POLBCASP6L3MBTL1GABRA5
SCHEMBL195442 0.85 GABRA5 (0.63) GABRA5
SCHEMBL195443 0.85 GABRA5 (0.63) GABRA5
SCHEMBL14796906 0.84 GABRA5 (0.54) GABRA5
SCHEMBL195454 0.84 GABRA5 (0.64) GABRA5
SCHEMBL195453 0.84 GABRA5 (0.64) GABRA5
SCHEMBL3403603 0.82 GABRA5 (0.65) GABRA5
SCHEMBL195455 0.82 GABRA5 (0.65) GABRA5

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401271-B1 ISOXAZOLE / O-PYRIDINE DERIVATIVES WITH ETHYL AND ETHENYL LINKER AS GABA A ALPHA5 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2013-03-27 EP claimed
US-8389550-B2 Isoxazoles / O-pyridines with ethyl and ethenyl linker HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US claimed
EP-2401271-A1 ISOXAZOLE / O-PYRIDINE DERIVATIVES WITH ETHYL AND ETHENYL LINKER AS GABA A ALPHA5 RECEPTOR INVERSE AGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-04 EP claimed
WO-2010097368-A1 ISOXAZOLE / O-PYRIDINE DERIVATIVES WITH ETHYL AND ETHENYL LINKER F. HOFFMANN-LA ROCHE AG (CH) 2010-09-02 WO claimed
US-20100216845-A1 ISOXAZOLES / O-PYRIDINES WITH ETHYL AND ETHENYL LINKER ROCHE PALO ALTO LLC 2010-08-26 US claimed
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-06-13 US disclosed
EP-2575455-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY The Regents of the University of California (US) 2013-04-10 EP disclosed
EP-2401271-B1 ISOXAZOLE / O-PYRIDINE DERIVATIVES WITH ETHYL AND ETHENYL LINKER AS GABA A ALPHA5 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2013-03-27 EP disclosed
US-8389550-B2 Isoxazoles / O-pyridines with ethyl and ethenyl linker HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
EP-2401271-A1 ISOXAZOLE / O-PYRIDINE DERIVATIVES WITH ETHYL AND ETHENYL LINKER AS GABA A ALPHA5 RECEPTOR INVERSE AGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-04 EP disclosed
WO-2011153377-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 WO disclosed
WO-2010097368-A1 ISOXAZOLE / O-PYRIDINE DERIVATIVES WITH ETHYL AND ETHENYL LINKER F. HOFFMANN-LA ROCHE AG (CH) 2010-09-02 WO disclosed
US-20100216845-A1 ISOXAZOLES / O-PYRIDINES WITH ETHYL AND ETHENYL LINKER ROCHE PALO ALTO LLC 2010-08-26 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 (2 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-20100216845-A1 ISOXAZOLES / O-PYRIDINES WITH ETHYL AND ETHENYL LINKER GABRA5, GABRA1, GABRA4 POLB 4558/4885CASP6 4540/4885L3MBTL1 4327/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 POLB 4627/4885CASP6 969/4885L3MBTL1 4184/4885

“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.