SCHEMBL21945440

SCHEMBL21945440

Cc1cc(C(F)(F)F)ccc1CF

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.47
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ IDO1 P14902 2/20 0.42
▸ PDE2A O00408 2/20 0.40
▸ KIF11 P52732 3/20 0.39
▸ HTR2A P28223 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ PTPN5 P54829 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ RAPGEF4 Q8WZA2 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ POLQ O75417 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL13052416 0.85 IDO1 (0.41) DAORXRARXRBRXRGIDO1
SCHEMBL12603811 0.83 DAO (0.51) DAORXRARXRBRXRGIDO1
SCHEMBL171171 0.81 DAO (0.46) DAORXRARXRBRXRGIDO1
SCHEMBL30617195 0.81 DAO (0.46) DAORXRARXRBRXRGIDO1
SCHEMBL1972143 0.81 DAO (0.46) DAORXRARXRBRXRGIDO1
SCHEMBL18294991 0.81 DAO (0.46) DAORXRARXRBRXRGIDO1
SCHEMBL5112247 0.81 DAO (0.46) DAORXRARXRBRXRGIDO1
SCHEMBL5111503 0.81 DAO (0.46) DAORXRARXRBRXRGIDO1
SCHEMBL1538523 0.80 DAO (0.49) DAORXRARXRBRXRGIDO1
Hydrochloric Acid SCHEMBL966617 0.79 IDO1 (0.47) DAORXRARXRBRXRGIDO1

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 DAO 732/4885RXRA 3077/4885RXRB 2771/4885

“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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