SCHEMBL978079

SCHEMBL978079

NC(=O)c1nc2c(s1)C(c1ccccc1N)N(C(=O)Nc1ccccc1OC(F)F)CC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.34
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
LHCGR P22888 1/20 0.33
MEN1 O00255 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.33

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
SCHEMBL977860 0.89 MAPT (0.41) MAPTLHCGRTRPM8
SCHEMBL978816 0.81 PTGDR2 (0.35) PTGDR2
SCHEMBL979157 0.80 TRPM8 (0.46) HTR2AHTR2COPRK1HTR2BTMEM97
SCHEMBL980550 0.80 TRPV1 (0.43) KMT2AHTTMEN1
SCHEMBL977839 0.79 NPC1 (0.39) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL977977 0.79 LHCGR (0.38) HTR2AHTR2COPRK1HTR2BTMEM97
SCHEMBL975341 0.79 TP53 (0.41) KMT2ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL977879 0.79 LHCGR (0.44) ALDH1A1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL978995 0.79 LHCGR (0.47) HTTHTR2AHTR2COPRK1HTR2B
SCHEMBL978518 0.79 LHCGR (0.42) MAPTHTR2AHTR2COPRK1HTR2B

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 ALDH1A1 912/4885KMT2A 86/4885SMN1; 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.