SCHEMBL2458286

SCHEMBL2458286

O=[N+]([O-])c1ccccc1-c1nc(-c2cccnc2)no1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.78
CHRNB2 P17787 3/20 0.65
CHRNA5 P30532 3/20 0.65
CHRNA4 P43681 3/20 0.65
MAPT P10636 7/20 0.65
ALDH1A1 P00352 5/20 0.65
TSHR P16473 3/20 0.65
POLB P06746 2/20 0.65
RAB9A P51151 6/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
NPC1 O15118 5/20 0.62
HPGD P15428 4/20 0.62
TP53 P04637 4/20 0.62
KDM4E B2RXH2 3/20 0.62
AHR P35869 1/20 0.62
ABCB1 P08183 1/20 0.57
KMT2A Q03164 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
HSD17B10 Q99714 1/20 0.57
NFKB1 P19838 1/20 0.56

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
SCHEMBL30058255 0.80 ALDH1A1 (0.65) MAPK1MAPTALDH1A1RAB9ANPC1
SCHEMBL3237419 0.80 ALDH1A1 (0.65) MAPK1MAPTALDH1A1RAB9ANPC1
SCHEMBL2455620 0.79 CHRNB2 (1.00) MAPK1CHRNB2CHRNA5CHRNA4MAPT
SCHEMBL1422793 0.78 CHRNB2 (0.67) MAPK1CHRNB2CHRNA5CHRNA4MAPT
SCHEMBL11477671 0.78 RAB9A (0.61) MAPK1CHRNB2CHRNA5CHRNA4MAPT
SCHEMBL1422941 0.77 CHRNB2 (1.00) MAPK1CHRNB2CHRNA5CHRNA4MAPT
SCHEMBL23288072 0.77 ALDH1A1 (0.74) CHRNB2CHRNA5CHRNA4MAPTALDH1A1
SCHEMBL1422846 0.77 ALDH1A1 (0.74) MAPK1CHRNB2CHRNA5CHRNA4MAPT
SCHEMBL5959945 0.77 SMN1; SMN2 (1.00) CHRNB2CHRNA5CHRNA4MAPTALDH1A1
SCHEMBL5959914 0.76 NPC1 (0.63) MAPK1MAPTALDH1A1TSHRPOLB

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 17 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 claimed
EP-2255848-A2 Pharmaceutical combinations of a nicotine receptor modulator and a cognitive enhancer NeuroSearch AS (DK) 2010-12-01 EP claimed
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER NEUROSEARCH A/S (DK) 2010-09-16 US claimed
US-20090312347-A1 Novel oxadiazole derivatives and their medical use SANIONA A/S (DK) 2009-12-17 US claimed
EP-2083921-A2 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER NEUROSEARCH A/S (DK) 2009-08-05 EP claimed
WO-2008028903-A2 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER NEUROSEARCH A/S (DK) 2008-03-13 WO claimed
EP-1881979-A1 NOVEL OXADIAZOLE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2008-01-30 EP claimed
WO-2006114400-A1 NOVEL OXADIAZOLE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-11-02 WO claimed
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-2083921-A2 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER NEUROSEARCH A/S (DK) 2009-08-05 EP disclosed
WO-2008028903-A2 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER NEUROSEARCH A/S (DK) 2008-03-13 WO 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 MAPK1 1041/4885CHRNB2 10/4885CHRNA5 2/4885
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER CHRNA10, CHRNA4, CHRNA5 MAPK1 2231/4885CHRNB2 12/4885CHRNA5 3/4885
US-20110294856-A1 NOVEL OXADIAZOLE DERIVATIVES AND THEIR MEDICAL USE CHRNA3, CHRNA5, CHRNB3 MAPK1 1041/4885CHRNB2 10/4885CHRNA5 2/4885

“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.