SCHEMBL3978060

SCHEMBL3978060

Cc1onc(-c2ccccc2)c1C(=O)c1cc(C(=O)NC2CCCC2)n(C)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
P2RY12 Q9H244 1/20 0.50
GABRA5 P31644 6/20 0.49
USP2 O75604 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
S1PR1 P21453 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL3979026 0.91 TRPV1 (0.45) KMT2AP2RY12GABRA5NPC1RAB9A
SCHEMBL3975360 0.91 NPC1 (0.48) KMT2AP2RY12GABRA5NPC1RAB9A
SCHEMBL3976838 0.90 GABRA5 (0.51) KMT2AP2RY12GABRA5NPC1RAB9A
SCHEMBL3979034 0.88 GABRA5 (0.51) KMT2AP2RY12GABRA5
SCHEMBL3979100 0.84 NPSR1 (0.60) P2RY12GABRA5USP2L3MBTL1HTT
SCHEMBL13842556 0.83 GABRA5 (0.45) KMT2AGABRA5HTT
SCHEMBL3978337 0.82 KMT2A (0.54) KMT2AP2RY12USP2LMNAHTT
SCHEMBL27715445 0.82 KMT2A (0.47) KMT2AP2RY12GABRA5USP2LMNA
SCHEMBL5535276 0.80 KMT2A (0.62) KMT2AGABRA5L3MBTL1HTTSMN1; SMN2
SCHEMBL4248633 0.80 HTT (0.61) KMT2AGABRA5NPC1RAB9ALMNA

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 8 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
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
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
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US 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 2468/4885P2RY12 517/4885GABRA5 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.