SCHEMBL976229

SCHEMBL976229

NC(=O)c1nc2c(s1)C(c1ccccc1N)N(C(=O)Nc1ccc(OC(F)F)cc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 5/20 0.42
OPRK1 P41145 2/20 0.42
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
CYP2C8 P10632 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
KCNH2 Q12809 2/20 0.39
TRPM8 Q7Z2W7 3/20 0.36
CSNK1E P49674 1/20 0.36
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL978995 0.89 LHCGR (0.47) LHCGROPRK1TMEM97SIGMAR1HTR2A
SCHEMBL977879 0.89 LHCGR (0.44) LHCGROPRK1TMEM97SIGMAR1HTR2A
SCHEMBL978518 0.89 LHCGR (0.42) LHCGROPRK1TMEM97SIGMAR1HTR2A
SCHEMBL978079 0.87 ALDH1A1 (0.36) LHCGROPRK1TMEM97SIGMAR1HTR2A
SCHEMBL977977 0.86 LHCGR (0.38) LHCGROPRK1TMEM97SIGMAR1HTR2A
SCHEMBL977839 0.86 NPC1 (0.39) LHCGROPRK1TMEM97SIGMAR1HTR2A
SCHEMBL979157 0.85 TRPM8 (0.46) LHCGROPRK1TMEM97SIGMAR1HTR2A
SCHEMBL980003 0.84 MAPT (0.38) LHCGROPRK1TMEM97SIGMAR1HTR2A
SCHEMBL975341 0.83 TP53 (0.41) LHCGRTSHRTP53NPC1POLB
SCHEMBL976752 0.81 TRPM8 (0.47) LHCGROPRK1TMEM97SIGMAR1HTR2A

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 2821/4885OPRK1 4144/4885TMEM97 4625/4885

“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.