SCHEMBL286460

SCHEMBL286460

CCCCc1noc(C)c1COc1cc(C(=O)OC)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.43
MAPK1 P28482 1/20 0.40
GABRA5 P31644 11/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
CDC25B P30305 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL286337 0.89 HCAR2 (0.39) ALPLGABRA5L3MBTL1
SCHEMBL286463 0.88 ALDH1A1 (0.34) ALPLMAPK1GABRA5MAPTL3MBTL1
SCHEMBL286160 0.87 GABRA5 (0.42) GABRA5
SCHEMBL286161 0.87 POLB (0.40) GABRA5POLBL3MBTL1
SCHEMBL286328 0.86 KMT2A (0.38) ALPLGABRA5L3MBTL1KMT2AALDH1A1
SCHEMBL286582 0.86 KMT2A (0.38) ALPLGABRA5L3MBTL1KMT2AALDH1A1
SCHEMBL286394 0.86 L3MBTL1 (0.35) GABRA5L3MBTL1
SCHEMBL286340 0.85 GABRA5 (0.44) ALPLGABRA5
SCHEMBL286414 0.85 GABRA1 (0.32) ALPLGABRA5L3MBTL1KMT2AALDH1A1
SCHEMBL286162 0.84 GABRA5 (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127975-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 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 (1 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-20100286115-A1 PYRAZOLES GABRA5, GABRA1, GABRA3 ALPL 1277/4885MAPK1 4145/4885GABRA5 1/4885

“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.