SCHEMBL6503025

SCHEMBL6503025

COc1cc(C(=O)O)ccc1Cn1c(C)nc2c(C)cc(OCCCC(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.46
AGTR2 P50052 1/20 0.46
MCL1 Q07820 2/20 0.40
DHFR P00374 1/20 0.39
PIN1 Q13526 1/20 0.38
PTPN1 P18031 1/20 0.37
PLA2G4B P0C869 1/20 0.37
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL6491216 0.88 FFAR4 (0.43) MCL1
SCHEMBL6489475 0.84 HSD17B2 (0.39) AGTR1AGTR2PTPN1
SCHEMBL6502699 0.83 MCL1 (0.46) MCL1
SCHEMBL6488122 0.81 MCL1 (0.46) MCL1
SCHEMBL6490634 0.80 MCL1 (0.46) MCL1
SCHEMBL6487495 0.80 MCL1 (0.46) MCL1
SCHEMBL6528719 0.80 MCL1 (0.44) MCL1
SCHEMBL6496494 0.80 MCL1 (0.45) MCL1
SCHEMBL6498255 0.79 FAAH (0.41) AGTR1AGTR2DHFRPTPN1
SCHEMBL6503536 0.79 MCL1 (0.46) MCL1

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 AGTR1 2045/4885AGTR2 2247/4885MCL1 806/4885

“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.