SCHEMBL15719501

SCHEMBL15719501

C#Cc1cccc(-c2nc3ccc(C(F)(F)F)cn3c2NC(C)C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 13/20 1.00
▸ ALOX5 P09917 2/20 0.41
▸ EPHX2 P34913 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NR1H4 Q96RI1 2/20 0.37
▸ GABRD O14764 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRA4 P48169 1/20 0.36
▸ ATM Q13315 1/20 0.35

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
SCHEMBL15720725 0.87 TRPA1 (1.00) TRPA1KDM4EHSD17B10
SCHEMBL17052781 0.85 TRPA1 (0.74) TRPA1ALOX5KDM4EHSD17B10NR1H4
SCHEMBL15720906 0.84 TRPA1 (1.00) TRPA1ALOX5EPHX2KDM4EHSD17B10
SCHEMBL15719583 0.76 TRPA1 (1.00) TRPA1
SCHEMBL17052784 0.72 TRPA1 (0.76) TRPA1ALOX5NR1H4
SCHEMBL15740030 0.71 TRPA1 (1.00) TRPA1
SCHEMBL15720556 0.70 TRPA1 (1.00) TRPA1
SCHEMBL15720730 0.70 TRPA1 (1.00) TRPA1KDM4ENR1H4ATM
SCHEMBL15720379 0.69 TRPA1 (1.00) TRPA1NR1H4ATM
SCHEMBL17052786 0.68 TRPA1 (0.82) TRPA1ALOX5NR1H4ATM

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 11 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
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
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
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 882/4885ALOX5 4635/4885EPHX2 3923/4885

“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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