SCHEMBL6509109

SCHEMBL6509109

Cc1cccc(N)c1N.Cc1cccc2[nH]c(O)nc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.52
MGAM O43451 14/20 0.49
GAA P10253 14/20 0.49
SI P14410 14/20 0.49
MGAM2 Q2M2H8 14/20 0.49
ATP4A P20648 1/20 0.46
ATP4B P51164 1/20 0.46
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ESR1 P03372 1/20 0.41
CBFB Q13951 1/20 0.41

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
SCHEMBL6139625 0.87 MGAM (0.60) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6509112 0.76 CD44 (0.52) CD44ATP4AATP4BALDH1A1TDP1
SCHEMBL727228 0.73 MGAM (0.53) MGAMGAASIMGAM2ATP4A
Hydrogen Peroxide SCHEMBL14358429 0.72 CD44 (0.90) CD44ALDH1A1TDP1
Methyl Alcohol SCHEMBL28133981 0.72 CD44 (0.90) CD44ALDH1A1TDP1
SCHEMBL29363854 0.72
SCHEMBL27995928 0.72 CD44 (1.00) CD44ALDH1A1TDP1
SCHEMBL42498 0.72
SCHEMBL6999051 0.71 CHEK1 (0.56) MGAMGAASIMGAM2ATP4A
Hydrogen Sulfide SCHEMBL28874707 0.70 CD44 (0.94) CD44ALDH1A1TDP1

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-20050032779-A1 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-02-10 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-20050032779-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, CYP3A7, HDAC7 CD44 3537/4885MGAM 4731/4885GAA 3044/4885

“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.