SCHEMBL6498457

SCHEMBL6498457

COC(=O)c1ccccc1COc1cc(C)c2nc(C(F)(F)F)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.41
PARP1 P09874 2/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
PTGES O14684 9/20 0.38
OPRL1 P41146 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ABL1 P00519 1/20 0.37
SRC P12931 1/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL6489411 0.87 DHODH (0.46) KDM4EALDH1A1LMNAHPGDPARP1
SCHEMBL6491011 0.84 PRMT5 (0.43) KDM4EALDH1A1LMNAHTTHPGD
SCHEMBL6501625 0.84 PTGES (0.40) KDM4EALDH1A1LMNAHTTHPGD
SCHEMBL6499860 0.82 PRMT5 (0.47) LMNAHTT
SCHEMBL7197499 0.76 DHODH (0.55) PARP1DHODH
SCHEMBL6498657 0.75 ALDH1A1 (0.40) KDM4EALDH1A1LMNAHTTL3MBTL1
Hydrochloric Acid SCHEMBL6492977 0.70 ALDH1A1 (0.46) KDM4EALDH1A1LMNAHTTHPGD
SCHEMBL31123658 0.69 ALDH1A1 (0.60) KDM4EALDH1A1LMNAHPGDHIF1A
SCHEMBL15286510 0.68 ALDH1A1 (0.51) KDM4EALDH1A1LMNAL3MBTL1HPGD
SCHEMBL23512330 0.68 KDM4E (0.51) KDM4EALDH1A1LMNAHTTL3MBTL1

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 KDM4E 760/4885ALDH1A1 96/4885LMNA 3711/4885

“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.