SCHEMBL977879

SCHEMBL977879

COc1ccc(NC(=O)N2CCc3nc(C(N)=O)sc3C2c2ccccc2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 10/20 0.44
TP53 P04637 3/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
F10 P00742 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL976902 0.91 LHCGR (0.45) LHCGRTP53MAPTF10
SCHEMBL978995 0.91 LHCGR (0.47) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL977839 0.90 NPC1 (0.39) LHCGRTP53HTR2AHTR2COPRK1
SCHEMBL975341 0.90 TP53 (0.41) LHCGRTP53MAPTNPC1MEN1
SCHEMBL978518 0.89 LHCGR (0.42) LHCGRTP53HTR2AHTR2COPRK1
SCHEMBL976229 0.89 LHCGR (0.42) LHCGRTP53HTR2AHTR2COPRK1
SCHEMBL977977 0.89 LHCGR (0.38) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL3696425 0.88 LHCGR (0.44) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL980003 0.88 MAPT (0.38) LHCGRTP53HTR2AHTR2COPRK1
SCHEMBL979157 0.88 TRPM8 (0.46) LHCGRHTR2AHTR2COPRK1HTR2B

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-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
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO 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 LHCGR 2821/4885TP53 2132/4885HTR2A 3871/4885

“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.