SCHEMBL6544698

SCHEMBL6544698

CCCCCN(C(C)=O)c1cc[c]cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PAX8 Q06710 2/20 0.48
JAK2 O60674 1/20 0.48
TP53 P04637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GPX4 P36969 1/20 0.40
ELANE P08246 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MLYCD O95822 6/20 0.36
TACR1 P25103 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
SCHEMBL6543765 0.98 NPC1 (0.50) NPC1RAB9APAX8JAK2TP53
SCHEMBL5510305 0.88 TP53 (0.40) NPC1RAB9APAX8JAK2TP53
SCHEMBL607964 0.83 NPC1 (0.67) NPC1RAB9APAX8JAK2TP53
SCHEMBL9809230 0.81 NPC1 (0.69) NPC1RAB9APAX8JAK2TP53
SCHEMBL13791114 0.81 RAB9A (0.53) NPC1RAB9APAX8JAK2TP53
SCHEMBL1208763 0.81 NPC1 (0.69) NPC1RAB9APAX8JAK2TP53
SCHEMBL4850924 0.80 ALDH1A1 (0.47) TP53ALDH1A1MLYCD
SCHEMBL13791624 0.80 NPC1 (0.48) NPC1RAB9APAX8JAK2TP53
SCHEMBL3367921 0.80 NPC1 (0.41) NPC1RAB9APAX8JAK2TP53
SCHEMBL13791513 0.80 NPC1 (0.55) NPC1RAB9APAX8JAK2TP53

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-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
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
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.