SCHEMBL18006397

SCHEMBL18006397

N#Cc1[nH]nnc1-c1cccc(OCc2nccs2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.36
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 2/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
TSHR P16473 2/20 0.33
SCN9A Q15858 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 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
SCHEMBL18006372 0.85 FFAR1 (0.42) CTSACYP11B1CYP11B2MAPTALDH1A1
SCHEMBL18006418 0.84 FFAR1 (0.48) CTSACYP11B1CYP11B2
SCHEMBL26071012 0.84 HSD17B10 (0.38) CTSAMAPTALDH1A1HPGDKDM4E
SCHEMBL18006417 0.81 ALOX5 (0.34) CTSACYP11B1CYP11B2SLC22A12CYSLTR2
SCHEMBL18004234 0.81 PIK3CD (0.47) CYP11B1CYP11B2MAPTSLC22A12SMN1; SMN2
SCHEMBL18005947 0.80 NAAA (0.47) CYP11B1HPGDTSHRGABRG2GABRB3
SCHEMBL18006360 0.80 MRGPRX4 (0.43) CYP11B1CYP11B2
SCHEMBL18006341 0.80 PARP15 (0.40) CYP11B1
SCHEMBL18006431 0.79 PARP15 (0.38) CYP11B1CYP11B2HPGDSLC22A12POLB
SCHEMBL18006044 0.79 FGFR2 (0.47) CYP11B1CYP11B2MAPTALDH1A1HPGD

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 3 patents. 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
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 CTSA 1533/4885CYP11B1 126/4885CYP11B2 227/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CTSA 1533/4885CYP11B1 126/4885CYP11B2 227/4885

“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.