SCHEMBL21945019

SCHEMBL21945019

Oc1cc(OCc2ccc(Cl)c(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
MRGPRX4 Q96LA9 3/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.45
SLC6A4 P31645 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
MAOB P27338 2/20 0.43
S1PR1 P21453 3/20 0.42
KDM4C Q9H3R0 1/20 0.42

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
SCHEMBL21944901 0.82 IDO1 (0.56) IDO1MRGPRX4PTGDR2SLC6A4GPR84
SCHEMBL18002421 0.82 IDO1 (0.50) IDO1MRGPRX4PTGDR2SLC6A4MAOB
SCHEMBL21944990 0.79 MAOB (0.49) MRGPRX4MAOB
SCHEMBL5505912 0.77 IDO1 (0.60) IDO1MRGPRX4PTGDR2SLC6A4GPR84
SCHEMBL21945013 0.77 MAOB (0.62) IDO1MRGPRX4MAOB
SCHEMBL21944797 0.76 SMN1; SMN2 (0.46) MRGPRX4
SCHEMBL21944575 0.76 SRD5A2 (0.45) MRGPRX4SLC6A4MAOB
SCHEMBL21944816 0.75 NR4A2 (0.47) MAOB
SCHEMBL25140232 0.75 MAPT (0.42) MRGPRX4MAOB
SCHEMBL6239485 0.75 PTGDR2 (0.66) IDO1MRGPRX4PTGDR2S1PR1KDM4C

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
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
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 IDO1 2430/4885MRGPRX4 4062/4885PTGDR2 4574/4885

“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.