SCHEMBL15720730

SCHEMBL15720730

CC(C)Nc1c(-c2cccc(Cl)c2)nc2ccc(Cl)cn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 9/20 1.00
▸ NR1H4 Q96RI1 1/20 0.54
▸ MAPT P10636 2/20 0.48
▸ GAA P10253 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TOP2A P11388 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ ATM Q13315 1/20 0.45

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
SCHEMBL17052786 0.90 TRPA1 (0.82) TRPA1NR1H4MAPTGAATP53
SCHEMBL15739987 0.89 TRPA1 (1.00) TRPA1NR1H4MAPTGAATP53
SCHEMBL15720906 0.86 TRPA1 (1.00) TRPA1NR1H4MAPTKDM4EATM
SCHEMBL13905569 0.82 TRPA1 (0.70) TRPA1NR1H4MAPTGAAALDH1A1
SCHEMBL15719917 0.79 TRPA1 (1.00) TRPA1NR1H4MAPTGAAATM
SCHEMBL17052787 0.73 NR1H4 (0.76) TRPA1NR1H4MAPTATM
SCHEMBL17052781 0.73 TRPA1 (0.74) TRPA1NR1H4GAAALDH1A1KDM4E
SCHEMBL15331104 0.73 TRPA1 (0.57) TRPA1NR1H4MAPTALDH1A1KDM4E
SCHEMBL15719501 0.70 TRPA1 (1.00) TRPA1NR1H4KDM4EATM
SCHEMBL15720677 0.70 TRPA1 (1.00) TRPA1MAPTALDH1A1MEN1KMT2A

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 882/4885NR1H4 1220/4885MAPT 3037/4885

“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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