SCHEMBL977708

SCHEMBL977708

Nc1ccc(Cl)cc1NC(=O)c1nc2c(s1)CN(C(=O)Nc1cccnc1)CC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.45
F10 P00742 8/20 0.45
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HDAC2 Q92769 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
F2 P00734 1/20 0.43
F9 P00740 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
F7 P08709 1/20 0.43
PRSS3 P35030 1/20 0.43
FNTA P49354 3/20 0.43
FNTB P49356 3/20 0.43

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
SCHEMBL976751 0.89 PDGFRB (0.51) PDGFRBF10HDAC2HDAC3HDAC1
SCHEMBL977206 0.89 HTR2A (0.47) PDGFRBF10HTR2AHTR2CHDAC2
Hydrochloric Acid SCHEMBL976357 0.88 PDGFRB (0.50) PDGFRBF10HDAC2HDAC3HDAC1
SCHEMBL975412 0.87 HDAC3 (0.55) HDAC2HDAC3HDAC1
SCHEMBL977172 0.87 HDAC1 (0.55) PDGFRBHDAC2HDAC3HDAC1
SCHEMBL978783 0.84 F10 (0.60) F10HDAC3HDAC1F2F9
SCHEMBL977792 0.82 F10 (0.51) F10F2F9PRSS1PRSS2
SCHEMBL979973 0.81 HTR2A (0.42) F10HTR2AHTR2CHDAC2HDAC3
SCHEMBL979703 0.81 HDAC1 (0.43) PDGFRBF10HDAC2HDAC3HDAC1
SCHEMBL979596 0.80 F10 (0.51) F10HDAC2HDAC3HDAC1F2

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 8 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
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 PDGFRB 3522/4885F10 2726/4885HTR2A 3871/4885

“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.