SCHEMBL6492273

SCHEMBL6492273

CCOc1nc2c(C)cc(OCCCC(=O)O)cc2n1Cc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.39
AGBL2 Q5U5Z8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
FFAR1 O14842 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL6501253 0.93 L3MBTL1 (0.42) MCL1ALDH1A1GAAHPGDMAPT
SCHEMBL6497809 0.90 MCL1 (0.41) MCL1AGBL2ALDH1A1FFAR4GAA
SCHEMBL6489825 0.84 L3MBTL1 (0.43) MCL1ALDH1A1GAAHPGDMAPT
SCHEMBL6922928 0.83 MCL1 (0.41) MCL1AGBL2ALDH1A1FFAR4GAA
SCHEMBL6488957 0.83 BCL2 (0.42) MCL1MEN1KMT2AL3MBTL1TDP1
SCHEMBL7191530 0.82 AGTR1 (0.40) AGBL2ALDH1A1MAPTMEN1KMT2A
SCHEMBL6489538 0.81 MCL1 (0.42) MCL1ALDH1A1FFAR4HPGDMAPT
SCHEMBL7191526 0.81 ALDH1A1 (0.35) AGBL2ALDH1A1GAAHPGDMEN1
SCHEMBL6489607 0.80 MEN1 (0.41) MCL1ALDH1A1GAAHPGDMAPT
SCHEMBL6487780 0.79 MCL1 (0.47) MCL1FFAR4FFAR1

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 806/4885AGBL2 1642/4885ALDH1A1 96/4885

“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.