SCHEMBL2456085

SCHEMBL2456085

c1cncc(-c2noc(-c3ccoc3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 1.00
▸ CHRNB2 P17787 3/20 0.73
▸ CHRNA5 P30532 3/20 0.73
▸ CHRNA4 P43681 3/20 0.73
▸ SMN1; SMN2 Q16637 6/20 0.66
▸ NPC1 O15118 6/20 0.66
▸ RAB9A P51151 6/20 0.66
▸ ALDH1A1 P00352 5/20 0.66
▸ TP53 P04637 4/20 0.66
▸ MAPT P10636 4/20 0.66
▸ HSD17B10 Q99714 2/20 0.66
▸ KDM4E B2RXH2 2/20 0.66
▸ HPGD P15428 2/20 0.66
▸ NFKB1 P19838 1/20 0.62
▸ NFKB2 Q00653 1/20 0.62
▸ RELA Q04206 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ TSHR P16473 3/20 0.61
▸ POLB P06746 1/20 0.58
▸ CA9 Q16790 1/20 0.57

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 0.85 CHRNB2 (1.00) PPARACHRNB2CHRNA5CHRNA4SMN1; SMN2
SCHEMBL2463534 0.82 SMN1; SMN2 (0.93) PPARACHRNB2CHRNA5CHRNA4SMN1; SMN2
SCHEMBL3685718 0.81 CHRNB2 (0.83) PPARACHRNB2CHRNA5CHRNA4SMN1; SMN2
SCHEMBL3796996 0.79 SMN1; SMN2 (1.00) PPARACHRNB2CHRNA5CHRNA4SMN1; SMN2
SCHEMBL12117531 0.78 PPARA (0.63) PPARASMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL31141579 0.78 PPARA (0.63) PPARASMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL3430263 0.78 NPC1 (0.79) PPARACHRNB2CHRNA5CHRNA4SMN1; SMN2
SCHEMBL5959951 0.78 SMN1; SMN2 (0.84) PPARACHRNB2CHRNA5CHRNA4SMN1; SMN2
SCHEMBL1423193 0.78 CHRNB2 (0.83) PPARACHRNB2CHRNA5CHRNA4SMN1; SMN2
SCHEMBL5959911 0.77 NPC1 (0.77) PPARACHRNB2CHRNA5CHRNA4SMN1; 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 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 PPARA 554/4885CHRNB2 10/4885CHRNA5 2/4885
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER CHRNA10, CHRNA4, CHRNA5 PPARA 213/4885CHRNB2 12/4885CHRNA5 3/4885
US-20110294856-A1 NOVEL OXADIAZOLE DERIVATIVES AND THEIR MEDICAL USE CHRNA3, CHRNA5, CHRNB3 PPARA 554/4885CHRNB2 10/4885CHRNA5 2/4885

“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.

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