SCHEMBL21945067

SCHEMBL21945067

Oc1cccc(OCc2cc(Cl)cc(OC(F)(F)F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.48
▸ NLRP3 Q96P20 1/20 0.43
▸ MRGPRX4 Q96LA9 2/20 0.43
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ NR4A2 P43354 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ MAOB P27338 2/20 0.41
▸ MAOA P21397 1/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ GRIN2B Q13224 1/20 0.40
▸ FFAR4 Q5NUL3 2/20 0.40
▸ CETP P11597 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
SCHEMBL26070071 0.85 MAOB (0.52) APPMRGPRX4MAOBGRIN2B
SCHEMBL21945062 0.82 NR4A2 (0.49) APPMRGPRX4NR4A2PKMMAOB
SCHEMBL18002223 0.82 MAOB (0.56) MRGPRX4RXRARXRBRXRGMAOB
SCHEMBL21944924 0.81 MRGPRX4 (0.42) MRGPRX4GRIN2BFFAR4
SCHEMBL21945533 0.80 APP (0.53) APPRXRARXRBRXRGNR4A2
SCHEMBL4698486 0.76 NR4A2 (0.66) APPRXRARXRBRXRGNR4A2
SCHEMBL224912 0.75 NLRP3 (0.48) NLRP3CETP
SCHEMBL29426951 0.75 NLRP3 (0.48) NLRP3CETP
SCHEMBL27486567 0.75 MRGPRX4 (0.51) MRGPRX4MAOBMAOACETP
SCHEMBL4697290 0.75 APP (0.70) APPRXRARXRBRXRGNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 APP 2183/4885NLRP3 2472/4885MRGPRX4 4062/4885

“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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