SCHEMBL6543341

SCHEMBL6543341

CCCCCCN(C(=O)Cc1ccccc1)c1cc[c]cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
PAX8 Q06710 2/20 0.59
JAK2 O60674 1/20 0.59
CNR2 P34972 3/20 0.53
TP53 P04637 3/20 0.46
ALDH1A1 P00352 2/20 0.44
GPX4 P36969 1/20 0.44
MLYCD O95822 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
LTB4R2 Q9NPC1 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
SCHEMBL8016862 0.84 ADRA2C (0.55) NPC1RAB9APAX8JAK2CNR2
SCHEMBL6543542 0.84 ADRA2C (0.55) NPC1RAB9APAX8JAK2CNR2
SCHEMBL8016167 0.83 CNR2 (0.52) CNR2TP53ALDH1A1MLYCDMEN1
SCHEMBL8009229 0.79 NPC1 (0.57) NPC1RAB9APAX8CNR2ALDH1A1
SCHEMBL6543765 0.79 NPC1 (0.50) NPC1RAB9APAX8JAK2TP53
SCHEMBL9295793 0.78 TP53 (0.62) NPC1RAB9APAX8JAK2CNR2
SCHEMBL9337705 0.77 NPC1 (0.77) NPC1RAB9APAX8JAK2CNR2
SCHEMBL6544698 0.77 NPC1 (0.48) NPC1RAB9APAX8JAK2TP53
SCHEMBL5146437 0.76 NPC1 (0.75) NPC1RAB9APAX8JAK2CNR2
SCHEMBL5146433 0.76 NPC1 (0.75) NPC1RAB9APAX8JAK2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
CN-1255386-C Substituted fused heterocyclic compound SANKYO CO (JP) 2006-05-10 CN disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
CN-1280570-A Substituted fused heterocyclic compounds SANKYO CO (JP) 2001-01-17 CN disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 NPC1 2197/4885RAB9A 4120/4885PAX8 2825/4885

“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.