SCHEMBL976671

SCHEMBL976671

Nc1ccc(F)cc1NC(=O)c1cc2c(s1)CN(C(=O)Nc1cccnc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.43
KDM1A O60341 1/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC1 Q13547 4/20 0.42
PDGFRB P09619 1/20 0.42
HDAC3 O15379 2/20 0.42
HTR2C P28335 6/20 0.42
HTR2A P28223 5/20 0.42
HTR2B P41595 1/20 0.42
SMO Q99835 2/20 0.41
FAAH O00519 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL977866 0.90 KDM1A (0.45) CSNK1EKDM1AHDAC2HDAC1HDAC3
SCHEMBL976202 0.90 PDGFRB (0.47) KDM1AHDAC2HDAC1PDGFRBHDAC3
SCHEMBL978070 0.89 HTR2C (0.52) HDAC2HDAC1PDGFRBHDAC3HTR2C
SCHEMBL977071 0.87 HDAC1 (0.49) KDM1AHDAC2HDAC1HDAC3NPC1
SCHEMBL976928 0.85 NPC1 (0.47) KDM1AHDAC2HDAC1HDAC3FAAH
SCHEMBL976352 0.83 KDM1A (0.52) KDM1AHDAC2HDAC1PDGFRBHDAC3
SCHEMBL978003 0.80 KDM1A (0.48) KDM1ANPC1RAB9ANAMPT
SCHEMBL979002 0.80 NPC1 (0.48) KDM1AHDAC2HDAC1HDAC3NPC1
SCHEMBL977972 0.80 HDAC3 (0.55) HDAC2HDAC1HDAC3
SCHEMBL976864 0.77 HDAC1 (0.49) KDM1AHDAC2HDAC1HDAC3NAMPT

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 10 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 claimed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP claimed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US claimed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP claimed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO claimed
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 CSNK1E 426/4885KDM1A 38/4885HDAC2 6/4885

“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.