SCHEMBL18005488

SCHEMBL18005488

CC(C)(C)c1oc(-c2cccc(C(F)(F)F)c2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CTSS P25774 5/20 0.40
CTSK P43235 7/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 4/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATR Q13535 1/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
GAA P10253 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
SCHEMBL18005441 0.88 MAPT (0.46) NOTUMHTTRAB9ANPC1CTSS
SCHEMBL18005256 0.86 NOTUM (0.41) NOTUMHTTRAB9ANPC1CTSS
SCHEMBL18005333 0.86 NOTUM (0.41) NOTUMHTTRAB9ANPC1CTSS
SCHEMBL18005263 0.84 NOTUM (0.42) NOTUMHTTRAB9ANPC1CTSS
SCHEMBL18005318 0.84 CTSK (0.47) NOTUMHTTRAB9ANPC1CTSS
SCHEMBL18005380 0.83 CTSS (0.40) NOTUMHTTRAB9ANPC1CTSS
SCHEMBL18005596 0.82 RAB9A (0.43) NOTUMHTTRAB9ANPC1CTSS
SCHEMBL18005446 0.82 ESR1 (0.32) MAPTALDH1A1LMNAKDM4ENPSR1
SCHEMBL16399129 0.82 NOTUM (0.40) NOTUMHTTRAB9ANPC1CTSS
SCHEMBL18005305 0.81 NOTUM (0.39) NOTUMHTTRAB9ANPC1CTSS

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 1379/4885HTT 1138/4885RAB9A 4775/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NOTUM 1379/4885HTT 1138/4885RAB9A 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.