SCHEMBL6501530

SCHEMBL6501530

COC(=O)c1cccnc1COc1cc(C)c2nc(C)n(Cc3ccc(-c4ccccc4)cc3Cl)c2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
DCTPP1 Q9H773 1/20 0.35
DHODH Q02127 1/20 0.35
PIK3C2B O00750 3/20 0.35
NR4A2 P43354 1/20 0.35
SYK P43405 1/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
ALOX5AP P20292 2/20 0.34
HSD17B13 Q7Z5P4 1/20 0.34
BCL2 P10415 2/20 0.34
MCL1 Q07820 2/20 0.34

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
SCHEMBL6487917 0.93 PIK3C2B (0.39) DHODHPIK3C2BSYKAGTR1AGTR2
SCHEMBL6498787 0.91 BCL2 (0.40) DCTPP1PIK3C2BNR4A2AGTR1AGTR2
SCHEMBL6488163 0.88 PIK3C2B (0.37) DCTPP1DHODHPIK3C2BNR4A2AGTR1
SCHEMBL6498230 0.87 ALOX5AP (0.38) DCTPP1NR4A2AGTR1AGTR2ALOX5AP
SCHEMBL6492529 0.85 PIK3C2B (0.38) DCTPP1PIK3C2BALOX5APBCL2MCL1
SCHEMBL6496471 0.85 DCTPP1 (0.37) DCTPP1PIK3C2BALOX5APBCL2MCL1
SCHEMBL6498198 0.85 DCTPP1 (0.47) DCTPP1ALOX5APBCL2MCL1
SCHEMBL6501134 0.85 BCL2 (0.47) DHODHPIK3C2BBCL2MCL1
SCHEMBL6498346 0.83 CD274 (0.37) DCTPP1PIK3C2BALOX5APBCL2MCL1
SCHEMBL6488013 0.83 BDKRB1 (0.36) DCTPP1DHODHPIK3C2BAGTR1ALOX5AP

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 GABRA1 966/4885GABRG2 1437/4885GABRB3 1025/4885

“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.