SCHEMBL20687487

SCHEMBL20687487

COc1nccc2ccc(F)c(N(C)C)c12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 5/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ DYRK1A Q13627 2/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32
▸ LRRK2 Q5S007 2/20 0.31
▸ ABCC1 P33527 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ APLNR P35414 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
SCHEMBL25829653 0.82 TRPA1 (0.38) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18544267 0.78 TRPA1 (0.38) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21050753 0.78 TRPA1 (0.38) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL26694677 0.69 TRPA1 (0.32) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21563189 0.66 CSNK2A1 (0.36) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27882381 0.66 TRPA1 (0.39) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29517451 0.66 TRPA1 (0.39) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21598410 0.65 CCR4 (0.37) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2240307 0.65 TRPA1 (0.54) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12336177 0.65 KCNA5 (0.51) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9

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-10364254-B2 Compounds for use in antibacterial applications GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 — — US disclosed
US-20190031680-A1 COMPOUNDS FOR US IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-31 — — 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-20190031680-A1 COMPOUNDS FOR US IN ANTIBACTERIAL APPLICATIONS CFTR, MRPL21, CLPP TRPA1 420/4885CYP1A2 4380/4885CYP3A4 3048/4885
US-10364254-B2 Compounds for use in antibacterial applications MRPL21, CFTR, NRDC TRPA1 727/4885CYP1A2 3905/4885CYP3A4 2837/4885

“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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