SCHEMBL21945149

SCHEMBL21945149

COC(=O)c1nc2ccc(Oc3ccc(Cl)cc3)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
CSNK1D P48730 2/20 0.50
MAPT P10636 6/20 0.48
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
MAOB P27338 2/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
MAOA P21397 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FSCN1 Q16658 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL21945012 0.88 ALDH1A1 (0.56) ALDH1A1MAPTMAOBHSD17B1HSD17B2
SCHEMBL16398809 0.88 ALDH1A1 (0.63) ALDH1A1MAPTMAOBHSD17B1HSD17B2
SCHEMBL25221815 0.86 ALDH1A1 (0.63) ALDH1A1CSNK1DMAPTMAOBFSCN1
SCHEMBL30039055 0.86 ALDH1A1 (0.63) ALDH1A1CSNK1DMAPTMAOBFSCN1
SCHEMBL18003459 0.84 MAPT (0.65) ALDH1A1CSNK1DMAPTMAOBHSD17B1
SCHEMBL7158014 0.84 MAPT (0.64) ALDH1A1CSNK1DMAPTMAOBHSD17B1
SCHEMBL730623 0.76 ALDH1A1 (0.65) ALDH1A1MAOBHSD17B1HSD17B2CYP1A2
SCHEMBL26070209 0.76 MAPT (0.47) CSNK1DMAPTMAOBMAOATDP1
SCHEMBL20832544 0.75 ALDH1A1 (0.67) ALDH1A1MAPTMAOBMAOALMNA
SCHEMBL20899481 0.75 ALDH1A1 (0.63) ALDH1A1CSNK1DMAPTL3MBTL1NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 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 (1 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 ALDH1A1 1611/4885CSNK1D 684/4885MAPT 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.