SCHEMBL18005263

SCHEMBL18005263

N#Cc1[nH]nnc1-c1nc(-c2cccc(C(F)(F)F)c2)oc1CC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.42
CTSS P25774 4/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSK P43235 8/20 0.38
ATR Q13535 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KCNH2 Q12809 3/20 0.36
MEN1 O00255 1/20 0.36
TNF P01375 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36

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
SCHEMBL18005333 0.91 NOTUM (0.41) NOTUMCTSSRAB9ANPC1HTT
SCHEMBL18005318 0.89 CTSK (0.47) NOTUMCTSSRAB9ANPC1HTT
SCHEMBL18005380 0.88 CTSS (0.40) NOTUMCTSSRAB9ANPC1HTT
SCHEMBL18005441 0.86 MAPT (0.46) NOTUMCTSSRAB9ANPC1HTT
SCHEMBL18005488 0.84 NOTUM (0.41) NOTUMCTSSRAB9ANPC1HTT
SCHEMBL18005256 0.84 NOTUM (0.41) NOTUMCTSSRAB9ANPC1HTT
SCHEMBL18005579 0.83 KDM1A (0.33) NOTUM
SCHEMBL16399129 0.83 NOTUM (0.40) NOTUMCTSSRAB9ANPC1HTT
SCHEMBL18005224 0.81 NOTUM (0.39) NOTUMCTSSRAB9ANPC1HTT
SCHEMBL18005305 0.81 NOTUM (0.39) NOTUMCTSSRAB9ANPC1HTT

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 NOTUM 1379/4885CTSS 2273/4885RAB9A 4775/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NOTUM 1379/4885CTSS 2273/4885RAB9A 4775/4885

“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.