SCHEMBL2462787

SCHEMBL2462787

Brc1cccc(-c2nc(-c3cccnc3)no2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.69
CHRNA5 P30532 3/20 0.69
CHRNA4 P43681 3/20 0.69
RAB9A P51151 7/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
NPC1 O15118 6/20 0.62
ALDH1A1 P00352 6/20 0.62
MAPT P10636 5/20 0.62
TP53 P04637 4/20 0.62
HSD17B10 Q99714 2/20 0.62
KDM4E B2RXH2 2/20 0.62
HPGD P15428 2/20 0.62
PPARA Q07869 6/20 0.60
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TSHR P16473 3/20 0.58
PKM P14618 1/20 0.58
POLB P06746 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
SCHEMBL1422890 0.83 CHRNB2 (1.00) CHRNB2CHRNA5CHRNA4RAB9ASMN1; SMN2
SCHEMBL2463534 0.80 SMN1; SMN2 (0.93) CHRNB2CHRNA5CHRNA4RAB9ASMN1; SMN2
SCHEMBL2017685 0.80 CYP2A6 (0.62) SMN1; SMN2ALDH1A1MAPTTP53HSD17B10
SCHEMBL2459337 0.80 CHRNB2 (0.63) CHRNB2CHRNA5CHRNA4RAB9ASMN1; SMN2
SCHEMBL5959970 0.79 SMN1; SMN2 (0.78) CHRNB2CHRNA5CHRNA4RAB9ASMN1; SMN2
SCHEMBL1423294 0.79 CHRNB2 (0.73) CHRNB2CHRNA5CHRNA4RAB9ASMN1; SMN2
SCHEMBL3430263 0.79 NPC1 (0.79) CHRNB2CHRNA5CHRNA4RAB9ASMN1; SMN2
SCHEMBL3685718 0.79 CHRNB2 (0.83) CHRNB2CHRNA5CHRNA4RAB9ASMN1; SMN2
SCHEMBL2460206 0.78 CHRNB2 (0.71) CHRNB2CHRNA5CHRNA4RAB9ASMN1; SMN2
SCHEMBL1423031 0.78 CHRNB2 (0.71) CHRNB2CHRNA5CHRNA4RAB9ASMN1; 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 9 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-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.