SCHEMBL2461555

SCHEMBL2461555

Clc1cccc(-c2nc(-c3cccnc3)no2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.71
CHRNA5 P30532 4/20 0.71
CHRNA4 P43681 4/20 0.71
NPC1 O15118 7/20 0.66
RAB9A P51151 7/20 0.66
TP53 P04637 7/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
MAPT P10636 5/20 0.64
ALDH1A1 P00352 2/20 0.64
KDM4E B2RXH2 1/20 0.64
HPGD P15428 1/20 0.64
HSD17B10 Q99714 1/20 0.64
CA9 Q16790 1/20 0.64
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
S1PR1 P21453 1/20 0.61
MITF O75030 1/20 0.60
PKM P14618 1/20 0.60

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
SCHEMBL1422890 0.84 CHRNB2 (1.00) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL1423247 0.84 CHRNB2 (0.69) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL1423294 0.84 CHRNB2 (0.73) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL1423254 0.83 CHRNB2 (0.78) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL1422884 0.83 CHRNB2 (0.68) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL1423272 0.82 CHRNB2 (0.71) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL14327890 0.82 NPC1 (0.74) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL8039918 0.82 CHRNB2 (0.71) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL1422507 0.82 TP53 (0.74) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL3745631 0.82 SMN1; SMN2 (0.66) NPC1RAB9ATP53SMN1; SMN2MAPT

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-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 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.