SCHEMBL18004161

SCHEMBL18004161

N#Cc1[nH]nnc1-c1cc(Cc2ccc(Cl)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.35
▸ PTPN5 P54829 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ NOTUM Q6P988 1/20 0.32
▸ RHOC P08134 1/20 0.32
▸ RHOA P61586 1/20 0.32
▸ P2RX3 P56373 1/20 0.31
▸ TOP2A P11388 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 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
SCHEMBL18004377 0.89 CTSS (0.38) RXRARXRGNOTUMCTSSCTSK
SCHEMBL18003935 0.89 CNR1 (0.35) CNR1PTPN5NOTUMCTSSCTSK
SCHEMBL18004264 0.87 RXRA (0.36) RXRARXRGCTSSCTSKMEN1
SCHEMBL18004016 0.86 RXRA (0.38) CNR1HTTL3MBTL1RXRARXRG
SCHEMBL18004247 0.84 GPR52 (0.35) NOTUMTOP2A
SCHEMBL18004241 0.84 HTT (0.38) HTTL3MBTL1CTSSMEN1GAA
SCHEMBL18004206 0.83 CNR1 (0.43) CNR1RXRARXRGKDM4EMEN1
SCHEMBL18003986 0.82 IDH1 (0.36) NOTUMCTSSCTSK
SCHEMBL18004159 0.81 NOTUM (0.38) NOTUMCTSSCTSK
SCHEMBL18004375 0.81 MEN1 (0.37) PTPN5CTSSCTSKMEN1KMT2A

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 CNR1 2229/4885PTPN5 2007/4885HTT 1138/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CNR1 2229/4885PTPN5 2007/4885HTT 1138/4885

“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.

Send feedback