SCHEMBL976352

SCHEMBL976352

Nc1ccccc1NC(=O)c1cc2c(s1)CCN(C(=O)Nc1cccnc1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.52
SMO Q99835 2/20 0.50
PDGFRB P09619 4/20 0.49
HDAC2 Q92769 6/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC3 O15379 4/20 0.44
ABL1 P00519 3/20 0.44
KDR P35968 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
BTK Q06187 1/20 0.42

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
SCHEMBL976202 0.93 PDGFRB (0.47) KDM1ASMOPDGFRBHDAC2HDAC1
SCHEMBL977972 0.85 HDAC3 (0.55) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL976671 0.83 CSNK1E (0.43) KDM1ASMOPDGFRBHDAC2HDAC1
SCHEMBL978003 0.83 KDM1A (0.48) KDM1AHDAC6MEN1KMT2AKDM4E
SCHEMBL13822812 0.82 KDM1A (0.60) KDM1AHDAC2HDAC1HDAC3HDAC4
SCHEMBL978070 0.81 HTR2C (0.52) SMOPDGFRBHDAC2HDAC1HDAC3
SCHEMBL977973 0.81 PDGFRB (0.49) KDM1APDGFRBHDAC2HDAC1HDAC3
SCHEMBL977442 0.81 NAMPT (0.51) KDM1AHDAC2HDAC1KDM4EALDH1A1
SCHEMBL975723 0.80 PDGFRB (0.51) PDGFRBHDAC2HDAC1HDAC3ABL1
SCHEMBL976751 0.80 PDGFRB (0.51) PDGFRBHDAC2HDAC1HDAC3ABL1

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 KDM1A 38/4885SMO 1861/4885PDGFRB 3522/4885

“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.