SCHEMBL12763756

SCHEMBL12763756

COCc1nc2cc(C(C)C)c(C(F)(F)F)cc2n1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GRM2 Q14416 5/20 0.35
▸ PTGES O14684 2/20 0.34
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PPARG P37231 2/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ DRD4 P21917 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ ESRRA P11474 1/20 0.32
▸ CNR2 P34972 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
SCHEMBL12763755 0.95 GRM2 (0.35) L3MBTL1GRM2PTGESTP53MAPT
SCHEMBL12763859 0.82 RAB9A (0.39) L3MBTL1GRM2PTGESTP53MAPT
SCHEMBL29896863 0.82 RAB9A (0.39) L3MBTL1GRM2PTGESTP53MAPT
SCHEMBL23302255 0.72 HDAC11 (0.39) L3MBTL1GRM2PTGESTP53MAPT
SCHEMBL29896893 0.72 HDAC11 (0.39) L3MBTL1GRM2PTGESTP53MAPT
SCHEMBL12763750 0.70 CACNA1H (0.52) PTGESCACNA1H
SCHEMBL27162875 0.68 PTGES (0.39) GRM2PTGESTP53SMN1; SMN2CACNA1H
SCHEMBL30046089 0.68 PTGES (0.39) GRM2PTGESTP53SMN1; SMN2CACNA1H
SCHEMBL21949432 0.68 TRPA1 (0.48) DRD4
SCHEMBL30047210 0.68 PTGES (0.40) PTGESRAB9ACACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 — — US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — 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-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E L3MBTL1 3263/4885GRM2 4679/4885PTGES 1856/4885

“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.

Send feedback