SCHEMBL5958170

SCHEMBL5958170

Cc1c(=O)n(Cc2ccccc2)c(=O)n2cc(C(=O)NCc3cn4ccsc4n3)sc12

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 13/20 0.73
▸ HPGD P15428 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HTT P42858 1/20 0.47
▸ TPH1 P17752 1/20 0.46
▸ TPH2 Q8IWU9 1/20 0.46
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5957632 0.85 TRPA1 (1.00) TRPA1
Hydrochloric Acid SCHEMBL5957410 0.85 TRPA1 (0.77) TRPA1
SCHEMBL5957457 0.84 TRPA1 (0.79) TRPA1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5957548 0.82 TRPA1 (0.98) TRPA1HPGDTSHRALDH1A1HSD17B10
SCHEMBL5957690 0.82 TRPA1 (1.00) TRPA1ALDH1A1
SCHEMBL5957784 0.82 TRPA1 (1.00) TRPA1ALDH1A1
SCHEMBL5957359 0.82 TRPA1 (1.00) TRPA1L3MBTL1SMN1; SMN2
SCHEMBL5957821 0.81 TRPA1 (0.77) TRPA1ALDH1A1
Hydrochloric Acid SCHEMBL5957611 0.81 TRPA1 (0.98) TRPA1ALDH1A1
SCHEMBL5957636 0.81 TRPA1 (1.00) TRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY 2006-02-23 — — US claimed
US-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY 2006-02-23 — — 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 (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-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP25, MMP15 TRPA1 3405/4885HPGD 208/4885TSHR 2086/4885

“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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