SCHEMBL18003459

SCHEMBL18003459

COC(=O)c1nc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2s1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
KDR P35968 2/20 0.52
TEK Q02763 2/20 0.52
ALDH1A1 P00352 1/20 0.51
CSNK1D P48730 3/20 0.49
CACNA1B Q00975 2/20 0.48
CACNA1H O95180 1/20 0.48
DYRK1A Q13627 2/20 0.47
PPARA Q07869 1/20 0.47
RAF1 P04049 2/20 0.46
BRAF P15056 2/20 0.46
KCNH2 Q12809 1/20 0.46
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL18004132 0.85 MAPT (0.58) MAPTALDH1A1CSNK1DDYRK1APPARA
SCHEMBL16398809 0.85 ALDH1A1 (0.63) MAPTALDH1A1HSD17B1HSD17B2MAOA
SCHEMBL21945012 0.85 ALDH1A1 (0.56) MAPTALDH1A1DYRK1AKCNH2HSD17B1
SCHEMBL21945149 0.84 ALDH1A1 (0.55) MAPTALDH1A1CSNK1DDYRK1AHSD17B1
SCHEMBL7158014 0.81 MAPT (0.64) MAPTALDH1A1CSNK1DDYRK1AHSD17B1
SCHEMBL17161588 0.80 DYRK1A (0.60) MAPTALDH1A1CSNK1DDYRK1APPARA
SCHEMBL21945689 0.78 MAPT (0.47) MAPTKDRTEKCSNK1DCACNA1B
SCHEMBL18004108 0.76 SCN4A (0.70) MAPTALDH1A1CACNA1BKCNH2
SCHEMBL30451659 0.76 SCN4A (0.70) MAPTALDH1A1CACNA1BKCNH2
SCHEMBL25219141 0.75 MAPT (0.64) MAPTALDH1A1CSNK1DDYRK1AMAOB

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 MAPT 2196/4885KDR 2214/4885TEK 1660/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MAPT 2196/4885KDR 2214/4885TEK 1660/4885

“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.