SCHEMBL979002

SCHEMBL979002

CC(C)c1ccc(N)c(NC(=O)c2cc3c(s2)CN(C(=O)Nc2ccc(F)cc2)CC3)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 1/20 0.48
KDM1A O60341 1/20 0.45
PANK3 Q9H999 1/20 0.45
HDAC6 Q9UBN7 3/20 0.41
HDAC2 Q92769 7/20 0.40
HDAC3 O15379 5/20 0.40
HDAC1 Q13547 5/20 0.40
ALDH1A1 P00352 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL975199 0.87 L3MBTL1 (0.44) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL978288 0.86 ALDH1A1 (0.43) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL13822828 0.85 HDAC6 (0.47) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL978070 0.85 HTR2C (0.52) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL977866 0.84 KDM1A (0.45) NPC1RAB9AKDM1AHDAC6HDAC2
SCHEMBL978422 0.83 HDAC2 (0.51) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL1175185 0.82 RAB9A (0.60) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL976671 0.80 CSNK1E (0.43) NPC1RAB9AKDM1AHDAC2HDAC3
SCHEMBL976928 0.78 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM1AHDAC2
SCHEMBL975053 0.76 SMN1; SMN2 (0.41) RAB9AMAPTSMN1; SMN2KMT2AHDAC6

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 NPC1 2881/4885RAB9A 1395/4885MAPT 2144/4885

“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.