SCHEMBL18005305

SCHEMBL18005305

N#Cc1[nH]nnc1-c1nc(-c2cccc(C(F)(F)F)c2)oc1C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CTSS P25774 5/20 0.37
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
PLAT P00750 1/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA1 P30542 1/20 0.35
CTSK P43235 6/20 0.35
ATR Q13535 1/20 0.35
KCNH2 Q12809 3/20 0.35
CTSB P07858 1/20 0.34

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
SCHEMBL18005436 0.99 NOTUM (0.38) NOTUMALDH1A1MEN1KMT2ACTSS
SCHEMBL18005224 0.98 NOTUM (0.39) NOTUMALDH1A1MEN1KMT2ACTSS
SCHEMBL16399129 0.96 NOTUM (0.40) NOTUMALDH1A1MEN1KMT2ACTSS
SCHEMBL18005439 0.87 NOTUM (0.37) NOTUMCTSSCTSK
SCHEMBL18005363 0.85 ALOX15 (0.40) NOTUMALDH1A1MEN1KMT2ARAB9A
SCHEMBL18005588 0.85 CYP11B1 (0.34)
SCHEMBL18005494 0.85 ALOX15 (0.40) NOTUMALDH1A1MEN1KMT2ARAB9A
SCHEMBL18005326 0.84 CETP (0.36) NOTUMALDH1A1RAB9ATDP1NPC1
SCHEMBL18005366 0.83 ALOX15 (0.40) NOTUMALDH1A1MEN1KMT2ARAB9A
SCHEMBL18005492 0.83 NOTUM (0.35) NOTUMCTSSCTSK

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 1379/4885ALDH1A1 1611/4885MEN1 3151/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NOTUM 1379/4885ALDH1A1 1611/4885MEN1 3151/4885

“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.