SCHEMBL978097

SCHEMBL978097

NC(=O)c1nc2c(s1)C(c1ccccc1N)N(C(=O)NC1CCC(c3ccncc3)CC1)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.35
CYP46A1 Q9Y6A2 2/20 0.33
LHCGR P22888 3/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
CHRM3 P20309 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
OPRK1 P41145 2/20 0.31
TMEM97 Q5BJF2 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
KCNH2 Q12809 1/20 0.31
HDAC1 Q13547 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL975760 0.91 ALDH1A1 (0.38) TRPM8CYP46A1LHCGRALDH1A1L3MBTL1
SCHEMBL975382 0.85 PARP1 (0.34) PTGDR2CHRM3NPC1RAB9A
SCHEMBL979157 0.84 TRPM8 (0.46) TRPM8LHCGROPRK1TMEM97SIGMAR1
SCHEMBL978816 0.81 PTGDR2 (0.35) PTGDR2
SCHEMBL976752 0.78 TRPM8 (0.47) TRPM8LHCGROPRK1TMEM97SIGMAR1
SCHEMBL976158 0.77 LMNA (0.46) ALDH1A1PTGDR2HDAC1
SCHEMBL976721 0.76 PTGDR2 (0.38) ALDH1A1PTGDR2
SCHEMBL977839 0.76 NPC1 (0.39) TRPM8LHCGRALDH1A1NPC1RAB9A
SCHEMBL977879 0.76 LHCGR (0.44) LHCGRALDH1A1NPC1RAB9AOPRK1
SCHEMBL976324 0.75 HHAT (0.37) ALDH1A1PTGDR2NPC1RAB9ATSHR

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 TRPM8 4736/4885CYP46A1 816/4885LHCGR 2821/4885

“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.