SCHEMBL29889259

SCHEMBL29889259

COCCn1cc(C(N)=O)nn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.48
CA5A P35218 1/20 0.48
CYP2C19 P33261 1/20 0.39
NNMT P40261 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
SMYD3 Q9H7B4 1/20 0.37
GLS O94925 3/20 0.37
IKBKB O14920 1/20 0.37
NAMPT P43490 1/20 0.37
HCAR3 P49019 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 1/20 0.36
DPP4 P27487 1/20 0.35

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
SCHEMBL12287268 0.91 SCD (0.44) SCDCA5ACYP2C19ALDH1A1LMNA
SCHEMBL12287515 0.91 SCD (0.44) SCDCA5ACYP2C19ALDH1A1LMNA
SCHEMBL20702418 0.85 DPP4 (0.44) CYP2C19ALDH1A1LMNAGLSNAMPT
SCHEMBL13350012 0.81 CA5A (0.49) SCDCA5AALDH1A1LMNASMYD3
SCHEMBL12286925 0.81 SCD (0.46) SCDCA5AALDH1A1LMNASMYD3
SCHEMBL29224422 0.80 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2
SCHEMBL12287510 0.80 CA5A (0.48) SCDCA5ASMYD3GLSDPP4
SCHEMBL23173468 0.80 SCD (0.42) SCDCA5ACYP2C19ALDH1A1LMNA
SCHEMBL23173335 0.78 SCD (0.43) SCDCA5ACYP2C19ALDH1A1LMNA
SCHEMBL18680932 0.78 SCD (0.54) SCDCA5ANNMTALDH1A1LMNA

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
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US claimed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US claimed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US disclosed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 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-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 SCD 4282/4885CA5A 2176/4885CYP2C19 1428/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 SCD 4367/4885CA5A 1789/4885CYP2C19 1446/4885

“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.