SCHEMBL107805

SCHEMBL107805

CCOC(=O)c1c(-c2ccc(F)cn2)noc1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 8/20 0.53
NPC1 O15118 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL30592812 0.85 GABRA5 (0.53) GABRA5ALDH1A1HPGDL3MBTL1POLB
SCHEMBL1776503 0.85 GABRA5 (0.53) GABRA5ALDH1A1HPGDL3MBTL1POLB
SCHEMBL16333264 0.83 GABRA5 (0.57) GABRA5NPC1KDM4EALDH1A1LMNA
SCHEMBL286034 0.82 ALDH1A1 (0.61) NPC1KDM4EALDH1A1LMNAGAA
SCHEMBL1776597 0.80 GABRA5 (0.52) GABRA5NPC1KDM4EALDH1A1LMNA
SCHEMBL286334 0.80 POLB (0.54) GABRA5NPC1KDM4EALDH1A1LMNA
SCHEMBL20241039 0.78 POLB (0.46) NPC1KDM4EALDH1A1LMNAHPGD
SCHEMBL30592839 0.78 POLB (0.46) NPC1KDM4EALDH1A1LMNAHPGD
SCHEMBL2930347 0.78 MAPT (0.53) GABRA5NPC1KDM4EALDH1A1LMNA
SCHEMBL2922653 0.78 NPC1 (0.49) GABRA5NPC1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427456-B1 ISOXAZOLE-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-02-05 EP disclosed
EP-2231651-B1 ISOXAZOLO-PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-11-21 EP disclosed
EP-2229383-B1 ISOXAZOLO-PYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-01-18 EP disclosed
EP-2427459-B1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2016-09-28 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-8877783-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-8877782-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-2231651-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
EP-2229383-A1 ISOXAZOLO-PYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-22 EP disclosed
EP-2227467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2010094669-A1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES ROCHE PALO ALTO LLC 2010-08-19 US disclosed
WO-2009071464-A1 ISOXAZOLO-PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed
WO-2009071476-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed
WO-2009071477-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES ROCHE PALO ALTO LLC 2009-06-04 US disclosed
US-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 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 (3 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 GABRA5 1/4885NPC1 1948/4885KDM4E 1485/4885
US-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES GABRA5, GABRA1, GABRA4 GABRA5 1/4885NPC1 763/4885KDM4E 2095/4885
US-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES GABRA5, CHRNA5, GABRA1 GABRA5 1/4885NPC1 1361/4885KDM4E 1917/4885

“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.