SCHEMBL13624053

SCHEMBL13624053

COc1ccc(COc2c3c(c(C(N)=O)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.39
ANO1 Q5XXA6 1/20 0.35
MAOB P27338 1/20 0.35
PARP10 Q53GL7 1/20 0.35
FFAR1 O14842 1/20 0.35
BTK Q06187 4/20 0.34
LIPG Q9Y5X9 1/20 0.34
CSNK1E P49674 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC2A1 P11166 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL12378387 0.93 ANO1 (0.41) GRM2ANO1FFAR1LIPGKEAP1
SCHEMBL12378386 0.92 LIPG (0.35) GRM2ANO1FFAR1LIPGKEAP1
SCHEMBL12378400 0.91 LIPG (0.37) GRM2ANO1MAOBFFAR1LIPG
SCHEMBL12378378 0.91 SLC2A1 (0.35) GRM2ANO1FFAR1LIPGKEAP1
SCHEMBL12378413 0.89 SMN1; SMN2 (0.35) ANO1
SCHEMBL12378434 0.89 LIPG (0.35) GRM2ANO1MAOBFFAR1LIPG
SCHEMBL12378417 0.89 NPC1 (0.37) ANO1
SCHEMBL12378388 0.89 KMT2A (0.37)
SCHEMBL12378429 0.89 HPGD (0.37) MAOB
SCHEMBL13624054 0.89 SCN9A (0.38) GRM2ANO1FFAR1LIPGKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 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-20090291921-A1 INTEGRASE INHIBITORS TYMP, DNTT, PAICS GRM2 4726/4885ANO1 4694/4885MAOB 1308/4885

“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.