SCHEMBL15720380

SCHEMBL15720380

NCCc1c(-c2cccc(Cl)c2)nc2ccc(C(F)(F)F)cn12

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 12/20 0.62
▸ SLC2A1 P11166 3/20 0.48
▸ PSMD14 O00487 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.40
▸ ATM Q13315 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
SCHEMBL15720379 0.77 TRPA1 (1.00) TRPA1NR1H4ATM
SCHEMBL15720906 0.75 TRPA1 (1.00) TRPA1KDM4EHSD17B10NR1H4ATM
SCHEMBL15720555 0.72 TRPA1 (0.64) TRPA1SLC2A1PSMD14KDM4EHSD17B10
SCHEMBL1691861 0.72 SLC2A1 (0.65) TRPA1SLC2A1KDM4E
SCHEMBL1691718 0.70 SLC2A1 (0.49) TRPA1SLC2A1NR1H4
SCHEMBL17718907 0.65 SLC2A1 (1.00) SLC2A1KDM4E
SCHEMBL1691844 0.65 SLC2A1 (0.51) TRPA1SLC2A1KDM4E
SCHEMBL5393887 0.65 TRPA1 (0.47) TRPA1KDM4EHSD17B10
SCHEMBL1691706 0.65 SLC2A1 (0.51) TRPA1SLC2A1KDM4EHSD17B10
SCHEMBL15720616 0.64 TRPA1 (1.00) TRPA1

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
US-9394304-B2 Imidazopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-07-19 — — US claimed
EP-2920169-A1 IMIDAZOPYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-09-23 — — EP claimed
US-20150246918-A1 IMIDAZOPYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-09-03 — — US claimed
WO-2014076021-A1 IMIDAZOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-22 — — WO claimed
US-9394304-B2 Imidazopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-07-19 — — US disclosed
EP-2920169-A1 IMIDAZOPYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-09-23 — — EP disclosed
US-20150246918-A1 IMIDAZOPYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-09-03 — — US disclosed
WO-2014076021-A1 IMIDAZOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-22 — — 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 (1 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-20150246918-A1 IMIDAZOPYRIDINE DERIVATIVES QDPR, ADRB3, HRH4 TRPA1 882/4885SLC2A1 4741/4885PSMD14 2224/4885

“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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