SCHEMBL3976103

SCHEMBL3976103

Cc1onc(-c2cccc(Cl)c2)c1C(=O)c1cc(C(=O)OCC2CC2)n(C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
GABRA5 P31644 5/20 0.43
GPBAR1 Q8TDU6 2/20 0.42
GHSR Q92847 1/20 0.41
KDM4E B2RXH2 1/20 0.39
P2RY12 Q9H244 1/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MDM2 Q00987 1/20 0.36

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 0.91 NPC1 (0.40) TDP1GABRA5GPBAR1GHSRKDM4E
SCHEMBL3977190 0.91 POLB (0.46) TDP1KDM4EP2RY12POLBALOX15
SCHEMBL3973247 0.90 GABRA5 (0.43) TDP1GABRA5GPBAR1KDM4EP2RY12
SCHEMBL3977472 0.88 GABRA5 (0.38) GABRA5KDM4EP2RY12POLBALOX15
SCHEMBL3984576 0.86 CACNA1F (0.41) TDP1KDM4EP2RY12POLBALOX15
SCHEMBL3975866 0.85 BACE1 (0.43) GPBAR1KDM4ETSHR
SCHEMBL3978253 0.83 HPGD (0.41) GABRA5GPBAR1KDM4EPOLBTSHR
SCHEMBL3979619 0.82 CACNA1F (0.40) TDP1KDM4EP2RY12POLBALOX15
SCHEMBL3982811 0.82 ATM (0.43) TDP1KDM4EP2RY12POLBALOX15
SCHEMBL3977560 0.81 P2RY12 (0.39) TDP1GPBAR1KDM4EP2RY12POLB

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 3 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
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 TDP1 3070/4885GABRA5 1/4885GPBAR1 214/4885

“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.