SCHEMBL3977472

SCHEMBL3977472

Cc1onc(-c2ccc(F)c(F)c2)c1C(=O)c1cc(C(=O)OCC2CC2)n(C(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 6/20 0.38
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 2/20 0.35
P2RY12 Q9H244 1/20 0.34
CHRM3 P20309 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
BACE1 P56817 1/20 0.34
FFAR1 O14842 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3976665 0.90 NPC1 (0.40) GABRA5KDM4ENPC1P2RY12POLB
SCHEMBL3984576 0.90 CACNA1F (0.41) KDM4EMEN1KMT2AP2RY12POLB
SCHEMBL3973247 0.89 GABRA5 (0.43) GABRA5KDM4EP2RY12POLBALOX15
SCHEMBL3977190 0.88 POLB (0.46) KDM4EMEN1KMT2AP2RY12POLB
SCHEMBL3976103 0.88 TDP1 (0.43) GABRA5KDM4ENPC1P2RY12POLB
SCHEMBL3975866 0.87 BACE1 (0.43) KDM4EMEN1KMT2ATSHRBACE1
SCHEMBL3978253 0.87 HPGD (0.41) GABRA5KDM4EMEN1KMT2AHSD17B10
SCHEMBL3979619 0.86 CACNA1F (0.40) KDM4EMEN1KMT2AP2RY12POLB
SCHEMBL3982811 0.83 ATM (0.43) KDM4EMEN1KMT2AP2RY12POLB
SCHEMBL3980172 0.80 LMNA (0.39) GABRA5CHRM3BACE1

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 5 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
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 GABRA5 1/4885KDM4E 1310/4885MEN1 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.