SCHEMBL2818612

SCHEMBL2818612

CCCCCc1ncc(C(C)C)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CDK5 Q00535 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FDPS P14324 1/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33

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
SCHEMBL13533948 0.87 CDK2 (0.39) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL22926088 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EPSEN1PSEN2APH1B
SCHEMBL12417805 0.82 CCNE1 (0.36) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL21240710 0.79 FDPS (0.35) ALDH1A1FDPSPSEN1PSEN2APH1B
SCHEMBL2818339 0.79 CDK2 (0.41) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL12394764 0.78 CCNE1 (0.38) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL5888997 0.76 CCNE1 (0.43) ALDH1A1TDP1L3MBTL1CCNE1CDK2
SCHEMBL2820592 0.76 ALDH1A1 (0.43) ALDH1A1TDP1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL2821023 0.74 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1CCNE1CDK2
SCHEMBL18174959 0.73 CDK2 (0.40) ALDH1A1CCNE1CDK2CDK5SMN1; SMN2

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 1751/4885TDP1 3507/4885L3MBTL1 3894/4885

“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.