SCHEMBL977484

SCHEMBL977484

COc1ccc(N)c(C2c3sc(C(N)=O)nc3CCN2C(=O)Nc2cccc3cnccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.43
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ROCK2 O75116 2/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TPH1 P17752 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
SCHEMBL979680 0.89 TRPV1 (0.38) TRPV1CYP3A4
SCHEMBL980550 0.88 TRPV1 (0.43) TRPV1ROCK2
SCHEMBL976902 0.83 LHCGR (0.45) MAPT
SCHEMBL978742 0.81 TP53 (0.48) MAPT
SCHEMBL977760 0.79 LHCGR (0.40) ALDH1A1MAPT
SCHEMBL977879 0.77 LHCGR (0.44) ALDH1A1MAPT
SCHEMBL978084 0.76 LHCGR (0.42) ALDH1A1LMNAMAPT
SCHEMBL977969 0.76 LHCGR (0.42) ALDH1A1MAPT
SCHEMBL977483 0.75 F10 (0.48) TRPV1ALDH1A1LMNAMAPTCYP2D6
SCHEMBL978099 0.74 HTR2C (0.46) TRPV1MAPTCYP3A4CYP2D6

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-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 TRPV1 4524/4885ALDH1A1 912/4885LMNA 3764/4885

“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.