SCHEMBL2820595

SCHEMBL2820595

CCCCc1cnc(CC)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.45
SLC5A2 P31639 4/20 0.39
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 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
SCHEMBL23430695 0.92 CCNE1 (0.42) FDPSSLC5A2CCNE1CDK2CDK5
SCHEMBL2821023 0.86 ALDH1A1 (0.46) FDPSSLC5A2CCNE1CDK2CDK5
SCHEMBL18067938 0.84 ALDH1A1 (0.39) FDPSSLC5A2CCNE1CDK2CDK5
SCHEMBL5888997 0.84 CCNE1 (0.43) FDPSSLC5A2CCNE1CDK2CDK5
SCHEMBL2822381 0.81
SCHEMBL21199725 0.79 CCNE1 (0.44) FDPSSLC5A2CCNE1CDK2CDK5
SCHEMBL14045404 0.78 FDPS (0.50) FDPSSLC5A2CCNE1CDK2CDK5
SCHEMBL2823210 0.78 FDPS (0.46) FDPSSLC5A2CCNE1CDK2CDK5
SCHEMBL13447373 0.77 FDPS (0.40) FDPSSLC5A2CCNE1CDK2CDK5
SCHEMBL27779049 0.77 FDPS (0.37) FDPSSLC5A2CCNE1CDK2CDK5

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 FDPS 1669/4885SLC5A2 2791/4885CCNE1 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.