SCHEMBL6154023

SCHEMBL6154023

CSc1cc(NC(=O)OC(C)(C)C)ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
CYP17A1 P05093 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
PSMB8 P28062 1/20 0.40
NAMPT P43490 1/20 0.40
MAP4K4 O95819 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
MMP8 P22894 2/20 0.38
MMP3 P08254 1/20 0.38
MAPK14 Q16539 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
SCHEMBL25526832 0.85 CA12 (0.43) CA12CA1CA9CYP17A1HDAC3
SCHEMBL29973561 0.85 CA12 (0.43) CA12CA1CA9CYP17A1HDAC3
SCHEMBL25525987 0.85 CA12 (0.43) CA12CA1CA9CYP17A1HDAC3
SCHEMBL28698567 0.84 ACHE (0.47) CA12CA1CA9CYP17A1HDAC3
SCHEMBL31263554 0.84 CA12 (0.52) CA12CA1CA9CYP17A1HDAC3
SCHEMBL25526919 0.84 CA12 (0.42) CA12CA1CA9CYP17A1HDAC3
SCHEMBL25529597 0.82 CA12 (0.43) CA12CA1CA9CYP17A1HDAC3
SCHEMBL25529191 0.81 CA12 (0.42) CA12CA1CA9CYP17A1HDAC3
SCHEMBL12145454 0.81 CA1 (0.48) CA12CA1CA9CYP17A1HDAC3
SCHEMBL2178849 0.81 ALDH1A1 (0.56) CA12CA1CA9ALDH1A1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 EP 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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 CA12 4755/4885CA1 4477/4885CA9 3436/4885

“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.