SCHEMBL4300399

SCHEMBL4300399

Cc1onc(-c2ccc(Cl)cc2)c1C(O)c1c(-c2ccc(Cl)cc2)noc1C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.54
KMT2A Q03164 1/20 0.54
GPBAR1 Q8TDU6 6/20 0.49
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.44
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRD4 O60885 1/20 0.43
GHSR Q92847 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
GABRA5 P31644 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL18557580 0.85 GPBAR1 (0.47) ATMKMT2AGPBAR1NPSR1KDM4E
SCHEMBL1780933 0.83 ATM (0.74) ATMKMT2AGPBAR1BRD4GABRA5
SCHEMBL2964778 0.80 ATM (0.53) ATMKMT2AKDM4EL3MBTL1BRD4
SCHEMBL1778740 0.78 GABRA5 (0.47) ATMKMT2ANPSR1MAPTPOLB
SCHEMBL10262345 0.77 GPBAR1 (0.51) GPBAR1NPSR1KDM4EMAPTPOLB
SCHEMBL4304500 0.76 ATM (0.52) ATMKMT2AGPBAR1MAPTPOLB
SCHEMBL2928713 0.73 GABRA5 (0.52) GPBAR1GHSRGABRA5
SCHEMBL27565925 0.73 GPBAR1 (0.40) GPBAR1NPSR1KDM4EMAPT
SCHEMBL5708155 0.72 GPBAR1 (0.66) KMT2AGPBAR1KDM4EMAPTPOLB
SCHEMBL1575050 0.72 GPBAR1 (0.66) KMT2AGPBAR1KDM4EMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768827-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL-METHOXY-NICOTINIC ACIDS HOFFMANN LA ROCHE (CH) 2016-11-23 EP disclosed
EP-2767536-B1 Isoxazolo-pyridine derivatives HOFFMANN LA ROCHE (CH) 2015-09-02 EP disclosed
US-9073908-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2015-07-07 US disclosed
EP-2227467-B1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
US-8877782-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-8877783-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-8846719-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-09-30 US disclosed
EP-2767536-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2014-08-20 EP disclosed
US-8604062-B2 Process for the preparation of isoxazolyl-methoxy nicotinic acids HOFFMAN-LA ROCHE INC. (US) 2013-12-10 US disclosed
US-20130281690-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-24 US disclosed
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-20130274468-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-8518974-B2 Isoxazolo-pyridine derivatives Hoffmann-La Roche Inc (US) 2013-08-27 US disclosed
US-20130102778-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL- METHOXY NICOTINIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US disclosed
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-07-19 US disclosed
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES ROCHE PALO ALTO LLC 2009-06-04 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 (7 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-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES GABRA5, GABRA1, CHRNA5 ATM 2740/4885KMT2A 3647/4885GPBAR1 208/4885
US-20130274468-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885KMT2A 3542/4885GPBAR1 208/4885
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885KMT2A 3542/4885GPBAR1 208/4885
US-20130102778-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL- METHOXY NICOTINIC ACIDS NAPRT, CHRNA1, CHRM1 ATM 4222/4885KMT2A 2326/4885GPBAR1 740/4885
US-20130281690-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885KMT2A 3542/4885GPBAR1 208/4885
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885KMT2A 3542/4885GPBAR1 208/4885
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885KMT2A 3542/4885GPBAR1 208/4885

“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.