SCHEMBL6487097

SCHEMBL6487097

CCOC(=O)c1cc(C)c2nc(C)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
SIRT2 Q8IXJ6 3/20 0.43
SIRT1 Q96EB6 2/20 0.43
SIRT3 Q9NTG7 1/20 0.43
HCRTR1 O43613 2/20 0.43
MME P08473 1/20 0.43
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL8294755 0.87 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL12226843 0.86 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL8294768 0.86 SIRT2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL6170448 0.85 KDM4E (0.45) CA12CA1CA2CA7CA9
SCHEMBL3707018 0.83 ACACB (0.43) CA12CA1CA2CA7CA9
SCHEMBL4633291 0.82 KMT2A (0.48) CA12CA1CA2CA7CA9
SCHEMBL3644443 0.81 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL6488165 0.81 DHODH (0.48) HPGDPOLBNPC1
Hydrochloric Acid SCHEMBL2132171 0.80 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL1144471 0.80 HSP90AA1 (0.57) MMEALDH1A1RAB9ASMN1; SMN2HPGD

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-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 WO 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 CA12 2346/4885CA1 3995/4885CA2 1442/4885

“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.