SCHEMBL6489411

SCHEMBL6489411

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.46
PARP1 P09874 2/20 0.39
PRMT5 O14744 4/20 0.39
WDR77 Q9BQA1 4/20 0.39
PTGES O14684 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
HIF1A Q16665 1/20 0.38
MME P08473 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
SCHEMBL6491011 0.91 PRMT5 (0.43) DHODHPARP1PRMT5WDR77PTGES
SCHEMBL7197499 0.89 DHODH (0.55) DHODHPARP1
SCHEMBL6501625 0.89 PTGES (0.40) DHODHPARP1PRMT5WDR77PTGES
SCHEMBL6498457 0.87 KDM4E (0.43) DHODHPARP1PTGESALDH1A1LMNA
SCHEMBL6499860 0.86 PRMT5 (0.47) PRMT5WDR77LMNACYP1A2CYP3A4
SCHEMBL6498657 0.79 ALDH1A1 (0.40) PRMT5WDR77ALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL6492977 0.74 ALDH1A1 (0.46) ALDH1A1LMNAKDM4ECYP1A2CYP3A4
SCHEMBL31123658 0.73 ALDH1A1 (0.60) ALDH1A1LMNAKDM4EMAPTHPGD
SCHEMBL29262118 0.72 DHODH (0.43) DHODHPARP1HPGD
SCHEMBL30001450 0.72 DHODH (0.43) DHODHPARP1HPGD

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 DHODH 759/4885PARP1 3898/4885PRMT5 1076/4885

“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.