SCHEMBL18002153

SCHEMBL18002153

Cc1cc(C=O)cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.40
CYP2C9 P11712 2/20 0.38
SCN9A Q15858 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CES2 O00748 2/20 0.37
IDH1 O75874 1/20 0.35
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
SCN5A Q14524 1/20 0.34
NFE2L2 Q16236 1/20 0.34
CYP26A1 O43174 1/20 0.34
CYP24A1 Q07973 1/20 0.34
MAPT P10636 1/20 0.33
PDE2A O00408 1/20 0.33
NOTUM Q6P988 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL18002318 0.84 KIF11 (0.44) KIF11CYP2C9SCN9ACYP3A4CYP2D6
SCHEMBL18002255 0.83 AHR (0.43) KIF11CYP2C9SCN9ACYP3A4CYP2D6
SCHEMBL26375471 0.82 CYP2C9 (0.40) KIF11CYP2C9SCN9ACYP3A4CYP2D6
SCHEMBL18002017 0.80 MAPT (0.42) KIF11IDH1AKR1C3MAPTCYP1A1
SCHEMBL18001814 0.80 KIF11 (0.57) KIF11CYP2C9SCN9ACYP3A4CYP2D6
SCHEMBL18001898 0.79 CYP2C9 (0.46) KIF11CYP2C9SCN9ACYP3A4CYP2D6
SCHEMBL18002371 0.78 DRD1 (0.42) KIF11CYP2C9SCN9ACYP3A4CYP2D6
SCHEMBL18002293 0.77 NOTUM (0.41) KIF11CES2NFE2L2NOTUMAR
SCHEMBL18002087 0.77 PTPN5 (0.46) KIF11CYP3A4NFE2L2MAPTAR
SCHEMBL18002089 0.75 KIF11 (0.68) KIF11

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 4 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
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 KIF11 3245/4885CYP2C9 1517/4885SCN9A 3205/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 KIF11 3245/4885CYP2C9 1517/4885SCN9A 3205/4885

“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.