SCHEMBL6498642

SCHEMBL6498642

CCOC(=O)CCCOc1cccc(N)c1NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.42
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TOP2A P11388 1/20 0.39
NLRP3 Q96P20 1/20 0.39
LTA4H P09960 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL6487012 0.95 CYP4F2 (0.41) DHFRTDP1CYP4F2CYP4A11ALDH1A1
SCHEMBL2987183 0.82 CYP1A2 (0.58) DHFRTDP1L3MBTL1CYP4F2CYP4A11
SCHEMBL6501312 0.81 L3MBTL1 (0.48) L3MBTL1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL6489389 0.78 L3MBTL1 (0.52) TDP1L3MBTL1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL13498196 0.76 TDP1 (0.44) TDP1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL6491695 0.76 HPGD (0.48) TDP1L3MBTL1SMN1; SMN2NLRP3LTA4H
SCHEMBL3668324 0.75 TOP2A (0.60) CYP4F2CYP4A11ALDH1A1TOP2ALTA4H
SCHEMBL8871609 0.74 ALDH1A1 (0.56) DHFRTDP1L3MBTL1CYP4F2CYP4A11
SCHEMBL201784 0.74 MEN1 (0.59) TDP1ALDH1A1SMN1; SMN2NLRP3
SCHEMBL10918936 0.73 LTA4H (0.43) TDP1L3MBTL1CYP4F2CYP4A11ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 WO 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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD DHFR 292/4885TDP1 3080/4885L3MBTL1 790/4885

“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.