SCHEMBL975723

SCHEMBL975723

Nc1ccccc1NC(=O)c1cc2c([nH]1)CCN(C(=O)Nc1cccnc1)C2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.51
HDAC1 Q13547 7/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC3 O15379 2/20 0.44
PTPN11 Q06124 1/20 0.44
IDO1 P14902 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR2C P28335 3/20 0.42
HTR2A P28223 2/20 0.42
ABL1 P00519 1/20 0.41
KDR P35968 1/20 0.41
HDAC4 P56524 1/20 0.41
MEF2D Q14814 1/20 0.41
GRIN2B Q13224 1/20 0.41
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
SCHEMBL975548 0.93 PDGFRB (0.49) PDGFRBHDAC1HDAC2HDAC3PTPN11
SCHEMBL977973 0.81 PDGFRB (0.49) PDGFRBHDAC1HDAC2HDAC3NPC1
SCHEMBL976352 0.80 KDM1A (0.52) PDGFRBHDAC1HDAC2HDAC3NPC1
SCHEMBL977811 0.79 PDGFRB (0.47) PDGFRBHDAC1HDAC2HDAC3NPC1
SCHEMBL976202 0.79 PDGFRB (0.47) PDGFRBHDAC1HDAC2HDAC3HTR2C
SCHEMBL976751 0.75 PDGFRB (0.51) PDGFRBHDAC1HDAC2HDAC3ABL1
SCHEMBL13822826 0.74 HDAC2 (0.47) HDAC1HDAC2HDAC3NPC1RAB9A
Hydrochloric Acid SCHEMBL976357 0.74 PDGFRB (0.50) PDGFRBHDAC1HDAC2HDAC3ABL1
SCHEMBL977705 0.74 TRPV1 (0.56) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
Acetic Acid SCHEMBL27920454 0.72 RAB9A (0.70) PDGFRBNPC1TP53RAB9ASMN1; SMN2

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 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
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US 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 3522/4885HDAC1 1/4885HDAC2 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.