SCHEMBL2821023

SCHEMBL2821023

CCCCCc1ncc(CCCC)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
FDPS P14324 1/20 0.44
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
SLC5A2 P31639 4/20 0.40
RAB9A P51151 3/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 2/20 0.35
DNMT1 P26358 1/20 0.35
MEN1 O00255 1/20 0.35
GAPDH P04406 1/20 0.35
ALOX15 P16050 1/20 0.35
NR4A1 P22736 1/20 0.35
APEX1 P27695 1/20 0.35
PTPN7 P35236 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
CTDSP1 Q9GZU7 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
SCHEMBL5888997 0.98 CCNE1 (0.43) ALDH1A1FDPSCCNE1CDK2CDK5
SCHEMBL23430695 0.87 CCNE1 (0.42) ALDH1A1FDPSCCNE1CDK2CDK5
SCHEMBL2820595 0.86 FDPS (0.45) ALDH1A1FDPSCCNE1CDK2CDK5
SCHEMBL18067938 0.86 ALDH1A1 (0.39) ALDH1A1FDPSCCNE1CDK2CDK5
SCHEMBL21199684 0.85 ALDH1A1 (0.40) ALDH1A1FDPSCCNE1CDK2CDK5
SCHEMBL21199725 0.85 CCNE1 (0.44) ALDH1A1FDPSCCNE1CDK2CDK5
SCHEMBL11724812 0.84 ALDH1A1 (0.42) ALDH1A1CCNE1CDK2CDK5SLC5A2
SCHEMBL13447373 0.83 FDPS (0.40) ALDH1A1FDPSCCNE1CDK2CDK5
SCHEMBL27779049 0.83 FDPS (0.37) ALDH1A1FDPSCCNE1CDK2CDK5
SCHEMBL13325277 0.82 SPHK1 (0.40) ALDH1A1FDPSCCNE1CDK2CDK5

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-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same DONG WHA PHARMACEUTICAL IND. CO., LTD. 2010-09-23 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-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same CMA1, IL5, HRH4 ALDH1A1 1751/4885FDPS 1669/4885CCNE1 3326/4885

“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.