SCHEMBL29308355

SCHEMBL29308355

CCS(=O)(=O)c1cnc(-n2cncn2)nc1-c1ncc(-c2ccc(C)cc2)n1C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LDLR P01130 1/20 0.34
PCSK9 Q8NBP7 1/20 0.34
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
GAA P10253 2/20 0.30
MAPT P10636 2/20 0.30
THRB P10828 1/20 0.30
TP53 P04637 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
SCHEMBL29688353 0.90 MAPT (0.37) LDLRPCSK9GAAMAPTTP53
SCHEMBL29455671 0.88 ALDH1A1 (0.37) LDLRPCSK9MAPT
SCHEMBL19981438 0.88 ALDH1A1 (0.37) LDLRPCSK9MAPT
SCHEMBL29308354 0.81 LDLR (0.37) LDLRPCSK9GAAMAPTTHRB
SCHEMBL29308357 0.73 LMNA (0.33) LDLRPCSK9GAAMAPTTHRB
SCHEMBL25847648 0.71 KDM4E (0.33) CYP1A2CYP2D6MAPT
SCHEMBL29455614 0.70 ATP1A1 (0.38) LDLRPCSK9CYP1A2CYP2D6MAPT
SCHEMBL29308351 0.66 TP53 (0.47) CYP1A2GAAMAPTTP53
SCHEMBL18854927 0.65 KDM4E (0.32) MAPT
SCHEMBL19981447 0.64 PDE2A (0.39) MAPT

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-12037326-B2 Diaryl-azole compound and formulation for controlling harmful organism NIPPON SODA CO., LTD. (JP) 2024-07-16 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-12037326-B2 Diaryl-azole compound and formulation for controlling harmful organism CRY1, CRKL, CDC5L LDLR 4189/4885PCSK9 4805/4885CYP1A2 64/4885

“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.