SCHEMBL18005409

SCHEMBL18005409

N#Cc1[nH]nnc1-c1nc(-c2ccc(C(F)(F)F)cc2F)oc1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.33
CYP11B2 P19099 5/20 0.33
PLAT P00750 1/20 0.32
MPL P40238 1/20 0.31
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
ALOX5AP P20292 2/20 0.30
FEN1 P39748 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL26070453 0.85 HSD11B1 (0.36) CYP11B1CYP11B2PLATMPL
SCHEMBL18005326 0.85 CETP (0.36) KDM1AMAOB
SCHEMBL18005439 0.84 NOTUM (0.37)
SCHEMBL16399129 0.83 NOTUM (0.40) PLAT
SCHEMBL18005396 0.83 TRPA1 (0.34)
SCHEMBL18005492 0.82 NOTUM (0.35)
SCHEMBL18005548 0.82 NPSR1 (0.40)
SCHEMBL18005569 0.81
SCHEMBL18005305 0.80 NOTUM (0.39) PLAT
SCHEMBL18005224 0.80 NOTUM (0.39) PLAT

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 3 patents. 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
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 CYP11B1 126/4885CYP11B2 227/4885PLAT 3714/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CYP11B1 126/4885CYP11B2 227/4885PLAT 3714/4885

“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.