SCHEMBL2463534

SCHEMBL2463534

c1ccc(-c2nc(-c3cccnc3)no2)cc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.93
RAB9A P51151 7/20 0.93
NPC1 O15118 6/20 0.93
TP53 P04637 5/20 0.93
ALDH1A1 P00352 5/20 0.93
MAPT P10636 5/20 0.93
KDM4E B2RXH2 3/20 0.93
HPGD P15428 3/20 0.93
HSD17B10 Q99714 2/20 0.93
CHRNB2 P17787 3/20 0.86
CHRNA5 P30532 3/20 0.86
CHRNA4 P43681 3/20 0.86
TSHR P16473 2/20 0.77
NFKB1 P19838 2/20 0.77
NFKB2 Q00653 2/20 0.77
RELA Q04206 2/20 0.77
POLB P06746 1/20 0.77
NPSR1 Q6W5P4 1/20 0.77
PPARA Q07869 3/20 0.69
NR1H4 Q96RI1 1/20 0.69

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
SCHEMBL3796996 0.93 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL1422890 0.93 CHRNB2 (1.00) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL3430263 0.88 NPC1 (0.79) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL3685718 0.88 CHRNB2 (0.83) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL20370632 0.87 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL1422602 0.87 NPC1 (0.77) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL5959911 0.87 NPC1 (0.77) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL1423193 0.84 CHRNB2 (0.83) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL5959951 0.84 SMN1; SMN2 (0.84) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL1421279 0.83 CHRNB2 (0.81) SMN1; SMN2RAB9ANPC1TP53ALDH1A1

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 13 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-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 SMN1; SMN2 256/4885RAB9A 4260/4885NPC1 4073/4885
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER CHRNA10, CHRNA4, CHRNA5 SMN1; SMN2 2707/4885RAB9A 2472/4885NPC1 3329/4885
US-20110294856-A1 NOVEL OXADIAZOLE DERIVATIVES AND THEIR MEDICAL USE CHRNA3, CHRNA5, CHRNB3 SMN1; SMN2 256/4885RAB9A 4260/4885NPC1 4073/4885

“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.