SCHEMBL6498657

SCHEMBL6498657

COC(=O)c1ccccc1COc1cc(C)c2[nH]c(=S)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 4/20 0.38
HTT P42858 2/20 0.38
EGFR P00533 1/20 0.37
NOX4 Q9NPH5 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
TSHR P16473 2/20 0.36
MAPK10 P53779 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.36
MAOB P27338 1/20 0.36
PRMT5 O14744 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
SCHEMBL6489411 0.79 DHODH (0.46) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL6501625 0.77 PTGES (0.40) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL6491011 0.77 PRMT5 (0.43) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL6498457 0.75 KDM4E (0.43) ALDH1A1LMNAKDM4EHPGDHIF1A
Hydrochloric Acid SCHEMBL6492977 0.74 ALDH1A1 (0.46) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL6499860 0.74 PRMT5 (0.47) LMNACYP1A2CYP3A4CYP2C19HTT
SCHEMBL31123658 0.73 ALDH1A1 (0.60) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL15286510 0.73 ALDH1A1 (0.51) ALDH1A1LMNAKDM4EHPGDTSHR
SCHEMBL6487920 0.70 SMN1; SMN2 (0.45) ALDH1A1LMNAMAPTKDM4EHTT
SCHEMBL9442052 0.70 L3MBTL1 (0.52) ALDH1A1LMNAMAPTHTTKMT2A

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 ALDH1A1 96/4885LMNA 3711/4885MAPT 3168/4885

“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.