SCHEMBL977839

SCHEMBL977839

Cc1ccc(NC(=O)N2CCc3nc(C(N)=O)sc3C2c2ccccc2N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
LHCGR P22888 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
POLB P06746 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 2/20 0.36
NFKB1 P19838 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
SCHEMBL977977 0.91 LHCGR (0.38) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL980003 0.90 MAPT (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1LHCGR
SCHEMBL977879 0.90 LHCGR (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1LHCGR
SCHEMBL979157 0.90 TRPM8 (0.46) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL978995 0.89 LHCGR (0.47) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL975341 0.87 TP53 (0.41) NPC1SMN1; SMN2LHCGRPOLBMAPT
SCHEMBL978816 0.87 PTGDR2 (0.35)
SCHEMBL978518 0.86 LHCGR (0.42) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL976752 0.86 TRPM8 (0.47) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL976819 0.86 LHCGR (0.37) 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 NPC1 2881/4885RAB9A 1395/4885SMN1; SMN2 4506/4885

“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.