SCHEMBL2922653

SCHEMBL2922653

CCOC(=O)c1c(-c2cc(F)ccc2F)noc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 4/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 5/20 0.47
TP53 P04637 2/20 0.47
GABRA5 P31644 1/20 0.46
POLB P06746 3/20 0.45
GPBAR1 Q8TDU6 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TSHR P16473 3/20 0.44
MAPK1 P28482 2/20 0.44
RAB9A P51151 1/20 0.44
ALOX15 P16050 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
SCHEMBL2930347 0.90 MAPT (0.53) NPC1HTTHPGDALDH1A1KDM4E
SCHEMBL5779012 0.88 NPC1 (0.45) NPC1HTTHPGDALDH1A1KDM4E
SCHEMBL1930932 0.85 NPC1 (0.48) NPC1HTTHPGDALDH1A1KDM4E
SCHEMBL2924198 0.85 GPBAR1 (0.58) NPC1HPGDALDH1A1KDM4ELMNA
SCHEMBL2924001 0.83 MAPT (0.51) NPC1HPGDALDH1A1MAPTTP53
SCHEMBL16333484 0.83 HSD17B10 (0.51) NPC1GAAMAPTTP53GABRA5
SCHEMBL2930268 0.82 L3MBTL1 (0.51) NPC1HTTHPGDALDH1A1KDM4E
SCHEMBL286034 0.82 ALDH1A1 (0.61) NPC1HPGDALDH1A1KDM4ELMNA
SCHEMBL15897845 0.81 NPC1 (0.43) NPC1HTTHPGDALDH1A1KDM4E
SCHEMBL535772 0.81 NPC1 (0.53) NPC1HTTHPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130281690-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-24 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-20130274467-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-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-07-19 US disclosed
EP-2227467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2009071476-A1 ISOXAZOLO-PYRIDINE 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

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-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES GABRA5, GABRA1, CHRNA5 NPC1 1948/4885HTT 2115/4885HPGD 1489/4885
US-20130274468-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 NPC1 1989/4885HTT 2099/4885HPGD 1443/4885
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 NPC1 1989/4885HTT 2099/4885HPGD 1443/4885
US-20130281690-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 NPC1 1989/4885HTT 2099/4885HPGD 1443/4885
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 NPC1 1989/4885HTT 2099/4885HPGD 1443/4885
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 NPC1 1989/4885HTT 2099/4885HPGD 1443/4885

“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.