SCHEMBL3978337

SCHEMBL3978337

Cc1onc(-c2ccccc2)c1C(=O)c1cc(C(=O)O)n(C)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.52
P2RY12 Q9H244 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
TSHR P16473 4/20 0.49
POLB P06746 2/20 0.48
MAPK1 P28482 2/20 0.48
ALOX15 P16050 1/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
ALOX12 P18054 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL3976772 0.90 GPBAR1 (0.46) KMT2AGAAMEN1USP2P2RY12
SCHEMBL3976845 0.90 KMT2A (0.45) KMT2AGAAMEN1USP2P2RY12
SCHEMBL3974843 0.89 GPBAR1 (0.50) KMT2AGAAMEN1USP2P2RY12
SCHEMBL3978060 0.82 KMT2A (0.50) KMT2AUSP2P2RY12SMN1; SMN2HTT
SCHEMBL3979100 0.81 NPSR1 (0.60) GAAUSP2P2RY12SMN1; SMN2HTT
SCHEMBL27715445 0.81 KMT2A (0.47) KMT2AGAAMEN1USP2P2RY12
SCHEMBL6241386 0.80 GAA (0.71) KMT2AGAAMEN1USP2SMN1; SMN2
SCHEMBL27722453 0.80 KMT2A (0.76) KMT2AGAAMEN1USP2SMN1; SMN2
SCHEMBL14034637 0.78 P2RY12 (0.48) KMT2AGAAMEN1P2RY12SMN1; SMN2
SCHEMBL3979548 0.78 RAB9A (0.53) KMT2AGAAMEN1P2RY12SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
EP-1931661-B1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
CN-101263139-A Isoxazolo derivatives as GABA A alpha5 inverse agonists HOFFMANN LA ROCHE (CH) 2008-09-10 CN disclosed
EP-1931661-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP disclosed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 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-20070066668-A1 Isoxazolo derivatives GABRA5, GABRA4, GABRA1 KMT2A 2468/4885GAA 1385/4885MEN1 4745/4885

“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.