SCHEMBL2458069

SCHEMBL2458069

O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)no2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.58
RAB9A P51151 9/20 0.58
MAPT P10636 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NR1H4 Q96RI1 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPR55 Q9Y2T6 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL2462953 0.87 RAB9A (0.60) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL2456535 0.87 NPC1 (0.47) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL2463030 0.85 CHRNB2 (0.64) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL2464183 0.81 RAB9A (0.62) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL2460785 0.79 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL2461726 0.79 RAB9A (0.52) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL18876477 0.78 MMP2 (0.50) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL2462019 0.75 NPC1 (0.49) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL16592426 0.75 NPC1 (0.76) NPC1RAB9AMAPTSMN1; SMN2NR1H4
SCHEMBL11715801 0.75 NPC1 (0.76) NPC1RAB9AMAPTSMN1; SMN2NR1H4

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 26 patents — showing the first 20. 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-20110294856-A1 NOVEL OXADIAZOLE DERIVATIVES AND THEIR MEDICAL USE DAHL BJARNE H (DK) 2011-12-01 US disclosed
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
US-8017631-B2 Oxadiazole derivatives and their medical use NEUROSEARCH A/S (DK) 2011-09-13 US disclosed
US-8017631-B2 Oxadiazole derivatives and their medical use NEUROSEARCH A/S (DK) 2011-09-13 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
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 NPC1 4073/4885RAB9A 4260/4885MAPT 1077/4885
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER CHRNA10, CHRNA4, CHRNA5 NPC1 3329/4885RAB9A 2472/4885MAPT 365/4885
US-20110294856-A1 NOVEL OXADIAZOLE DERIVATIVES AND THEIR MEDICAL USE CHRNA3, CHRNA5, CHRNB3 NPC1 4073/4885RAB9A 4260/4885MAPT 1077/4885

“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.