SCHEMBL3530345

SCHEMBL3530345

NC(=O)c1cc[n+](-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.54
TSHR P16473 3/20 0.54
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.45
GPR35 Q9HC97 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 2/20 0.43
PARP1 P09874 1/20 0.43
MEN1 O00255 1/20 0.43
CES2 O00748 1/20 0.43
CYP1A2 P05177 1/20 0.42
SIRT2 Q8IXJ6 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
Hydrochloric Acid SCHEMBL7787648 0.99 NPC1 (0.56) NPC1RAB9AATMTSHRLMNA
Hydrochloric Acid SCHEMBL3529156 0.99 NPC1 (0.53) NPC1RAB9AATMTSHRLMNA
SCHEMBL16318162 0.84 TSHR (0.46) NPC1RAB9AATMTSHRLMNA
SCHEMBL9517365 0.84 NPC1 (0.56) NPC1RAB9AATMTSHRLMNA
Hydrochloric Acid SCHEMBL29550623 0.83 NPC1 (0.58) NPC1RAB9AATMTSHRLMNA
Hydrochloric Acid SCHEMBL5345941 0.83 NPC1 (0.58) NPC1RAB9AATMTSHRLMNA
Hydrochloric Acid SCHEMBL7787708 0.82 NPC1 (0.61) NPC1RAB9AATMTSHRLMNA
SCHEMBL11694301 0.82 NPC1 (0.62) NPC1RAB9AATMTSHRLMNA
Bromide SCHEMBL5144105 0.80 NPC1 (0.61) NPC1RAB9AATMTSHRLMNA
Hydrochloric Acid SCHEMBL30343291 0.80 NPC1 (0.65) NPC1RAB9AATMTSHRGAA

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-1931337-B1 PHENYL- AND PYRIDINYL- 1, 2 , 4 - OXADIAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2013-10-23 EP disclosed
US-7709481-B2 Phenyl-1,2,4-oxadiazolone derivatives, processes for their preparation and methods for their use as pharmaceuticals SANOFI-AVENTIS (FR) 2010-05-04 US disclosed
US-7709481-B2 Phenyl-1,2,4-oxadiazolone derivatives, processes for their preparation and methods for their use as pharmaceuticals SANOFI-AVENTIS (FR) 2010-05-04 US disclosed
US-20080261979-A1 Phenyl-1,2,4-Oxadiazolone Derivatives, Processes For Their Preparation and Methods For Their Use as Pharmaceuticals SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
US-20080261979-A1 Phenyl-1,2,4-Oxadiazolone Derivatives, Processes For Their Preparation and Methods For Their Use as Pharmaceuticals SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
EP-1931337-A2 PHENYL- AND PYRIDINYL- 1, 2 , 4 - OXADIAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007039177-A2 PHENYL- AND PYRIDINYL- 1, 2 , 4 - OXADIAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
EP-0717739-A1 BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-06-26 EP disclosed
WO-1995007274-A1 BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-03-16 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-20080261979-A1 Phenyl-1,2,4-Oxadiazolone Derivatives, Processes For Their Preparation and Methods For Their Use as Pharmaceuticals PPARD, PPARA, PPARG NPC1 1228/4885RAB9A 3915/4885ATM 3050/4885

“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.