SCHEMBL2610163

SCHEMBL2610163

c1nnc(-c2ccc(-c3ccc(-c4nnco4)cc3)cc2)o1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 13/20 0.75
▸ KDM4E B2RXH2 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ TLR8 Q9NR97 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ HPGD P15428 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ TSHR P16473 1/20 0.51
▸ TP53 P04637 1/20 0.51

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
SCHEMBL17694561 0.97 NOTUM (0.78) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL5571187 0.91 NOTUM (0.91) NOTUMKDM4EALDH1A1LMNATLR8
Biphenyl SCHEMBL22577775 0.88 NOTUM (0.95) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL3537328 0.86 NOTUM (1.00) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL860256 0.86 NOTUM (0.64) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL19356867 0.86 NOTUM (0.64) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL9096052 0.86 NOTUM (0.64) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL14814390 0.86 NOTUM (1.00) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL3685411 0.86 NOTUM (0.64) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL368913 0.86 NOTUM (0.64) NOTUMKDM4EALDH1A1LMNATLR8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101109-A1 ETHANOLAMINE SALT OF N- (3-METHOXY-5-METHYLPYRAZIN-2YL) -2- (4-[1, 3, 4-OXADIAZOLE-2-YL] PHENYL) PYRIDINE-3- SULPHONAMIDE ASTRAZENECA AB (SE) 2012-04-26 — — US disclosed
US-20120101109-A1 ETHANOLAMINE SALT OF N- (3-METHOXY-5-METHYLPYRAZIN-2YL) -2- (4-[1, 3, 4-OXADIAZOLE-2-YL] PHENYL) PYRIDINE-3- SULPHONAMIDE ASTRAZENECA AB (SE) 2012-04-26 — — US disclosed
EP-1904490-B1 ETHANOLAMINE SALT OF N- (3-METHOXY-5-METHYLPYRAZIN-2YL) -2- (4- [1 , 3 , 4-0XADIAZ0LE-2-YL]PHENYL) PYRIDINE-3- SULPHONAMIDE ASTRAZENECA AB (SE) 2010-09-29 — — EP disclosed
US-20080221124-A1 Ethanolamine Salt of N- (3-Methoxy-5-Methylpyrazin-2Yl) -2- (4-[1, 3, 4-Oxadiazole-2-Yl] Phenyl) Pyridine-3-Sulphonamide ASTRAZENECA AB (SE) 2008-09-11 — — US disclosed
US-20080221124-A1 Ethanolamine Salt of N- (3-Methoxy-5-Methylpyrazin-2Yl) -2- (4-[1, 3, 4-Oxadiazole-2-Yl] Phenyl) Pyridine-3-Sulphonamide ASTRAZENECA AB (SE) 2008-09-11 — — US disclosed
WO-2007010235-A1 ETHANOLAMINE SALT OF N- (3-METHOXY-5-METHYLPYRAZIN-2YL) -2- (4- [1 , 3 , 4-0XADIAZ0LE-2-YL] PHENYL) PYRIDINE-3- SULPHONAMIDE ASTRAZENECA AB (SE) 2007-01-25 — — 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 (2 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-20120101109-A1 ETHANOLAMINE SALT OF N- (3-METHOXY-5-METHYLPYRAZIN-2YL) -2- (4-[1, 3, 4-OXADIAZOLE-2-YL] PHENYL) PYRIDINE-3- SULPHONAMIDE SELENOI, PNMT, SLC6A3 NOTUM 3353/4885KDM4E 1437/4885ALDH1A1 875/4885
US-20080221124-A1 Ethanolamine Salt of N- (3-Methoxy-5-Methylpyrazin-2Yl) -2- (4-[1, 3, 4-Oxadiazole-2-Yl] Phenyl) Pyridine-3-Sulphonamide SELENOI, PNMT, NNMT NOTUM 3361/4885KDM4E 708/4885ALDH1A1 984/4885

“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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