SCHEMBL978070

SCHEMBL978070

CC(C)c1ccc(N)c(NC(=O)c2cc3c(s2)CN(C(=O)Nc2cccnc2)CC3)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.52
HTR2A P28223 6/20 0.52
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR2B P41595 1/20 0.42
SMO Q99835 2/20 0.42
PDGFRB P09619 2/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC3 O15379 2/20 0.41
BTK Q06187 1/20 0.40
KDR P35968 1/20 0.40
MEN1 O00255 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
SCHEMBL976671 0.89 CSNK1E (0.43) HTR2CHTR2ANPC1RAB9AHTR2B
SCHEMBL976202 0.88 PDGFRB (0.47) HTR2CHTR2AKMT2AHTR2BSMO
SCHEMBL979002 0.85 NPC1 (0.48) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL977206 0.85 HTR2A (0.47) HTR2CHTR2ANPC1RAB9APDGFRB
SCHEMBL978288 0.83 ALDH1A1 (0.43) HTR2CHTR2ANPC1RAB9AKMT2A
SCHEMBL13822828 0.83 HDAC6 (0.47) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL975199 0.82 L3MBTL1 (0.44) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL976352 0.81 KDM1A (0.52) HTR2CHTR2ANPC1RAB9AKMT2A
SCHEMBL978003 0.79 KDM1A (0.48) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL977972 0.78 HDAC3 (0.55) HDAC1HDAC2HDAC3

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 HTR2C 3359/4885HTR2A 3871/4885NPC1 2881/4885

“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.