SCHEMBL18003606

SCHEMBL18003606

Fc1ccc2oc(I)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
APP P05067 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
PGR P06401 2/20 0.38
ATM Q13315 1/20 0.35
MAPT P10636 2/20 0.34
F2RL3 Q96RI0 1/20 0.34
PLAU P00749 1/20 0.34
MIF P14174 1/20 0.34
CHRNA7 P36544 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL14231750 0.77 CHRM2 (0.54) CA12CA1CA2CA9CHRM2
SCHEMBL8037247 0.74 CDK9 (0.50) CA12CA1CA2CA9CHRM2
SCHEMBL12778679 0.74 FLT3 (0.55) CA2CHRM2CHRM4CHRM5CHRM1
SCHEMBL14754139 0.74 ALDH1A1 (0.52) CA12CA1CA2CA9CYP1A2
SCHEMBL20210894 0.74 CA12 (0.46) CA12CA1CA2CA9CHRM2
SCHEMBL23920139 0.74 MAOB (0.55) CA12CA1CA2CA9APP
SCHEMBL19794945 0.74 CA2 (0.50) CA12CA1CA2CA9CHRM2
SCHEMBL12267 0.74 DYRK1A (0.50) CA12CA1CA2CA9CHRM2
SCHEMBL7934096 0.74 CYP2A6 (0.53) CA12CA1CA2CA9CHRM2
SCHEMBL18233454 0.74 CA12 (0.46) CA12CA1CA2CA9CHRM2

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 CA12 900/4885CA1 890/4885CA2 170/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CA12 900/4885CA1 890/4885CA2 170/4885

“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.