SCHEMBL12744427

SCHEMBL12744427

CNS(=O)(=O)CCOc1cc(C)[nH]n1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
ALPL P05186 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DAO P14920 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
NAAA Q02083 1/20 0.30
RIPK2 O43353 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL3261615 0.72 CYP2C9 (0.38) CYP2C9CYP2C19CYP1A2CYP2D6CYP19A1
SCHEMBL9250688 0.71 HCAR2 (0.39) SMN1; SMN2DAOHCAR2
SCHEMBL3264081 0.70 CYP2C9 (0.37) CYP2C9CYP2C19CYP1A2CYP2D6CYP19A1
SCHEMBL2725056 0.69
SCHEMBL17646502 0.65 BTK (0.40) CYP2C9CYP2C19CYP1A2CYP2D6CYP19A1
SCHEMBL3261931 0.64 ALDH1A1 (0.40) CYP2C9CYP2C19CYP1A2CYP2D6CYP19A1
SCHEMBL10153743 0.64 HTR1B (0.53)
SCHEMBL3395966 0.64 L3MBTL4 (0.39) CYP2C9CYP2C19CYP1A2CYP2D6SMN1; SMN2
SCHEMBL9933898 0.64
SCHEMBL9935599 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910611-B2 Therapeutic agent for restenosis KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-03-22 US disclosed
US-20100029625-A1 Therapeutic Agent for Restenosis KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-02-04 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-20100029625-A1 Therapeutic Agent for Restenosis NR1H2, NR1H3, LDLR CYP2C9 2518/4885CYP2C19 1888/4885CYP1A2 1325/4885

“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.