SCHEMBL6502699

SCHEMBL6502699

COc1ccc(Cn2c(C)nc3c(C)cc(OCCCC(=O)O)cc32)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.46
DCTPP1 Q9H773 5/20 0.41
DYRK1A Q13627 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PLA2G2A P14555 2/20 0.39

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
SCHEMBL6501386 0.92 MCL1 (0.48) MCL1DCTPP1FFAR4PLA2G2A
SCHEMBL6497177 0.92 DYRK1A (0.42) MCL1DCTPP1DYRK1ALMNATP53
SCHEMBL6488344 0.91 MCL1 (0.47) MCL1FFAR4PLA2G2A
SCHEMBL6490634 0.91 MCL1 (0.46) MCL1FFAR4LMNAPLA2G2A
SCHEMBL6491512 0.90 MCL1 (0.41) MCL1DCTPP1LMNATP53MAPT
SCHEMBL6489649 0.88 MCL1 (0.44) MCL1DCTPP1FFAR4PLA2G2A
SCHEMBL6503536 0.88 MCL1 (0.46) MCL1DCTPP1FFAR4PLA2G2A
SCHEMBL6489813 0.87 MCL1 (0.43) MCL1FFAR4PLA2G2A
SCHEMBL6501119 0.87 MCL1 (0.43) MCL1DCTPP1FFAR4PLA2G2A
SCHEMBL6501595 0.85 MCL1 (0.46) MCL1DCTPP1FFAR4PLA2G2A

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-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD MCL1 806/4885DCTPP1 1534/4885DYRK1A 4466/4885

“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.