SCHEMBL2416039

SCHEMBL2416039

COC/C=C/c1cccc(N)c1C#N

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ AKT1 P31749 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL2416043 1.00 NPC1 (0.34) NPC1RAB9AKDM4EALDH1A1GAA
SCHEMBL15550778 0.80 PTPN1 (0.34) —
SCHEMBL24098775 0.79 AKT1 (0.40) KDM4EALDH1A1AKT1
SCHEMBL618556 0.78 NPC1 (0.42) NPC1RAB9AKDM4EALDH1A1GAA
SCHEMBL618557 0.78 NPC1 (0.42) NPC1RAB9AKDM4EALDH1A1GAA
SCHEMBL2417706 0.77 CYP3A4 (0.33) KDM4EALDH1A1HPGDLMNA
SCHEMBL2415600 0.77 CYP3A4 (0.33) KDM4EALDH1A1HPGDLMNA
SCHEMBL2415596 0.77 CYP3A4 (0.33) KDM4EALDH1A1HPGDLMNA
SCHEMBL2415740 0.76 PTGES2 (0.33) GAAABCG2
SCHEMBL2415743 0.76 PTGES2 (0.33) GAAABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 — — EP disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 — — EP disclosed
US-9181276-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2015-11-10 — — US disclosed
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2014-08-21 — — US disclosed
US-8633186-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC. (US) 2014-01-21 — — US disclosed
EP-2573559-A1 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-27 — — EP disclosed
EP-2568287-A2 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-13 — — EP disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 — — US 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-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 NPC1 2949/4885RAB9A 3040/4885KDM4E 4555/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 NPC1 2949/4885RAB9A 3040/4885KDM4E 4555/4885

“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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