SCHEMBL978288

SCHEMBL978288

CC(C)c1ccc(N)c(NC(=O)c2cc3c(s2)CN(C(=O)Nc2cccc(OC(F)F)c2)CC3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
THRB P10828 2/20 0.37
LMNA P02545 1/20 0.37
KDM1A O60341 1/20 0.37
EP300 Q09472 1/20 0.36
CREBBP Q92793 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL979002 0.86 NPC1 (0.48) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL978070 0.83 HTR2C (0.52) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL975199 0.83 L3MBTL1 (0.44) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL13822828 0.81 HDAC6 (0.47) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL976453 0.79 ALDH1A1 (0.63) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL976172 0.79 MEN1 (0.45) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL976671 0.75 CSNK1E (0.43) NPC1RAB9AKDM1AHTR2AHTR2C
SCHEMBL975053 0.75 SMN1; SMN2 (0.41) ALDH1A1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL977866 0.75 KDM1A (0.45) NPC1RAB9AHDAC6KDM1AHDAC1
SCHEMBL1175185 0.74 RAB9A (0.60) ALDH1A1NPC1RAB9AMAPTKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 912/4885NPC1 2881/4885RAB9A 1395/4885

“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.