SCHEMBL18006229

SCHEMBL18006229

Cn1nc(C(F)(F)F)c(COc2cc(-c3nn[nH]c3C#N)cc(C(F)(F)F)c2)c1Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
POLB P06746 1/20 0.40
MAPT P10636 4/20 0.32
HTT P42858 4/20 0.32
LMNA P02545 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGER4 P35408 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31
GAA P10253 1/20 0.30
CYP11B1 P15538 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
SCHEMBL17969107 0.80 CYP1A2 (0.40) SMN1; SMN2POLBMAPTHTTL3MBTL1
SCHEMBL18006215 0.80 PTGS2 (0.38) SMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL18004313 0.79 MAOB (0.39) MEN1KMT2A
SCHEMBL18004444 0.79 GRIN1 (0.37) SMN1; SMN2HTTKDM4E
SCHEMBL18006201 0.78 KDM4E (0.33) SMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL18004114 0.78 KMT2A (0.40) SMN1; SMN2HTTKMT2AKDM4E
SCHEMBL18006233 0.77 SCN9A (0.32) POLBMAPTLMNAMEN1KMT2A
SCHEMBL18004407 0.77 MAOB (0.39)
SCHEMBL18004430 0.77 SMN1; SMN2 (0.36) SMN1; SMN2POLBMAPTHTTLMNA
SCHEMBL16400186 0.76 CD274 (0.36) CYP11B1CYP11B2

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 SMN1; SMN2 3834/4885POLB 539/4885MAPT 2196/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 SMN1; SMN2 3834/4885POLB 539/4885MAPT 2196/4885

“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.