SCHEMBL2464183

SCHEMBL2464183

O=[N+]([O-])c1ccc(-c2nc(-c3ccccn3)no2)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.62
NPC1 O15118 9/20 0.62
PKM P14618 9/20 0.62
TP53 P04637 8/20 0.62
SMN1; SMN2 Q16637 8/20 0.62
HSD17B10 Q99714 4/20 0.62
MAPT P10636 6/20 0.58
GRM5 P41594 4/20 0.58
PLCG2 P16885 1/20 0.56
POLB P06746 2/20 0.54
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
KLF5 Q13887 2/20 0.50
HPGD P15428 1/20 0.50
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
HCRTR1 O43613 1/20 0.48
MITF O75030 1/20 0.48

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
SCHEMBL2462019 0.84 NPC1 (0.49) RAB9ANPC1PKMTP53SMN1; SMN2
SCHEMBL11800551 0.82 HPGD (0.49) RAB9ANPC1MAPTGRM5PLCG2
SCHEMBL2458069 0.81 NPC1 (0.58) RAB9ANPC1PKMTP53SMN1; SMN2
SCHEMBL2459257 0.78 MAPT (0.65) RAB9ANPC1PKMTP53SMN1; SMN2
SCHEMBL2462953 0.77 RAB9A (0.60) RAB9ANPC1PKMSMN1; SMN2MAPT
SCHEMBL5959914 0.76 NPC1 (0.63) RAB9ANPC1PKMTP53SMN1; SMN2
SCHEMBL5959921 0.76 RAB9A (0.75) RAB9ANPC1PKMTP53SMN1; SMN2
SCHEMBL2463030 0.76 CHRNB2 (0.64) RAB9ANPC1PKMTP53SMN1; SMN2
SCHEMBL2456535 0.75 NPC1 (0.47) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL2461726 0.74 RAB9A (0.52) RAB9ANPC1PKMTP53SMN1; SMN2

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-20110294856-A1 NOVEL OXADIAZOLE DERIVATIVES AND THEIR MEDICAL USE DAHL BJARNE H (DK) 2011-12-01 US disclosed
US-8017631-B2 Oxadiazole derivatives and their medical use NEUROSEARCH A/S (DK) 2011-09-13 US disclosed
EP-2255848-A2 Pharmaceutical combinations of a nicotine receptor modulator and a cognitive enhancer NeuroSearch AS (DK) 2010-12-01 EP disclosed
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER NEUROSEARCH A/S (DK) 2010-09-16 US disclosed
US-20090312347-A1 Novel oxadiazole derivatives and their medical use SANIONA A/S (DK) 2009-12-17 US disclosed
EP-1881979-A1 NOVEL OXADIAZOLE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2008-01-30 EP disclosed
WO-2006114400-A1 NOVEL OXADIAZOLE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-11-02 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 (3 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-20090312347-A1 Novel oxadiazole derivatives and their medical use CHRNA3, CHRNA5, CHRNB3 RAB9A 4260/4885NPC1 4073/4885PKM 1333/4885
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER CHRNA10, CHRNA4, CHRNA5 RAB9A 2472/4885NPC1 3329/4885PKM 2357/4885
US-20110294856-A1 NOVEL OXADIAZOLE DERIVATIVES AND THEIR MEDICAL USE CHRNA3, CHRNA5, CHRNB3 RAB9A 4260/4885NPC1 4073/4885PKM 1333/4885

“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.