SCHEMBL2460752

SCHEMBL2460752

N#Cc1ccc(-c2nc(-c3cccnc3)no2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.58
CHRNA5 P30532 2/20 0.58
CHRNA4 P43681 2/20 0.58
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.53
TP53 P04637 4/20 0.53
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 1/20 0.53
PPARA Q07869 7/20 0.52
TSHR P16473 3/20 0.51
POLB P06746 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51

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
SCHEMBL19745884 0.82 CYP2A6 (0.56) HDAC4HDAC1HDAC6SMN1; SMN2TP53
SCHEMBL2460943 0.80 CHRNB2 (0.68) CHRNB2CHRNA5CHRNA4HDAC4HDAC1
SCHEMBL3607989 0.80 RAB9A (0.58) SMN1; SMN2TP53ALDH1A1NPC1RAB9A
SCHEMBL1422554 0.76 CHRNB2 (0.76) CHRNB2CHRNA5CHRNA4SMN1; SMN2TP53
SCHEMBL1422890 0.75 CHRNB2 (1.00) CHRNB2CHRNA5CHRNA4SMN1; SMN2TP53
SCHEMBL13930794 0.74 RAB9A (0.73) CHRNB2CHRNA5CHRNA4SMN1; SMN2TP53
SCHEMBL30065433 0.74 CHRNB2 (1.00) CHRNB2CHRNA5CHRNA4SMN1; SMN2TP53
SCHEMBL1421777 0.74 CHRNB2 (1.00) CHRNB2CHRNA5CHRNA4SMN1; SMN2TP53
SCHEMBL3607647 0.73 KDM4E (0.51) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL2459270 0.73 RAB9A (0.66) CHRNB2CHRNA5CHRNA4SMN1; SMN2TP53

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 15 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-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 CHRNB2 10/4885CHRNA5 2/4885CHRNA4 5/4885
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER CHRNA10, CHRNA4, CHRNA5 CHRNB2 12/4885CHRNA5 3/4885CHRNA4 2/4885
US-20110294856-A1 NOVEL OXADIAZOLE DERIVATIVES AND THEIR MEDICAL USE CHRNA3, CHRNA5, CHRNB3 CHRNB2 10/4885CHRNA5 2/4885CHRNA4 5/4885

“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.