SCHEMBL2456535

SCHEMBL2456535

O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)no2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.47
RAB9A P51151 10/20 0.47
MAPT P10636 9/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
AHR P35869 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
CASP3 P42574 1/20 0.42
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TPH1 P17752 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40

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
SCHEMBL2458069 0.87 NPC1 (0.58) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL2462953 0.86 RAB9A (0.60) NPC1RAB9AMAPTSMN1; SMN2AHR
SCHEMBL2463030 0.79 CHRNB2 (0.64) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL16592590 0.78 NPC1 (0.74) NPC1RAB9AMAPTSMN1; SMN2AHR
SCHEMBL2461726 0.75 RAB9A (0.52) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL2464183 0.75 RAB9A (0.62) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL2462019 0.74 NPC1 (0.49) NPC1RAB9AMAPTSMN1; SMN2AHR
SCHEMBL2455583 0.72 CA1 (0.46) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL11829131 0.72 MAPT (0.44) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL12171962 0.69 MAPT (0.58) NPC1RAB9AMAPTAHRCASP3

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 17 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-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 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.