SCHEMBL20001644

SCHEMBL20001644

CN(C)C(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
HDAC6 Q9UBN7 1/20 0.53
TCF4 P15884 1/20 0.52
CTNNB1 P35222 1/20 0.52
AURKA O14965 5/20 0.50
CHEK2 O96017 3/20 0.49
PARP1 P09874 1/20 0.47
TOP1 P11387 2/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GUSB P08236 1/20 0.46
MAPT P10636 1/20 0.46
RHEB Q15382 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KIF11 P52732 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL19994537 0.90 SIRT2 (0.69) SIRT2SIRT1HDAC6TCF4CTNNB1
SCHEMBL1663678 0.88 SIRT2 (0.58) SIRT2SIRT1TCF4CTNNB1AURKA
SCHEMBL15223904 0.88 SIRT2 (0.58) SIRT2SIRT1TCF4CTNNB1AURKA
SCHEMBL20001676 0.87 CHEK2 (0.64) SIRT2SIRT1CHEK2PARP1
SCHEMBL19994533 0.86 PKN1 (0.55) HDAC6CHEK2KDM4ENPC1RAB9A
SCHEMBL12392425 0.85 SIRT2 (0.55) SIRT2SIRT1HDAC6TCF4CTNNB1
SCHEMBL23845415 0.83 HPSE (0.61) SIRT2SIRT1KDM4ENPC1RAB9A
SCHEMBL29698973 0.83 HPSE (0.61) SIRT2SIRT1KDM4ENPC1RAB9A
SCHEMBL29002248 0.83 SIRT2 (0.53) SIRT2SIRT1TCF4CTNNB1AURKA
SCHEMBL8770559 0.83 HPSE (0.61) SIRT2SIRT1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515904-B1 BENZOIMIDAZOLE DERIVATIVES AS ANTICANCER AGENTS CENTRE LEON BERARD (FR) 2024-01-17 EP disclosed
US-20220348587-A1 Benzoimidazole Derivatives As Anticancer Agents CENTRE LEON BERARD (FR) 2022-11-03 US disclosed
US-11384081-B2 Benzoimidazole derivatives as anticancer agents CENTRE LEON BERARD (FR) 2022-07-12 US disclosed
US-20210292328-A1 BENZOIMIDAZOLE DERIVATIVES AS ANTICANCER AGENTS CENTRE LEON BERARD (FR) 2021-09-23 US disclosed
WO-2018054989-A1 BENZOIMIDAZOLE DERIVATIVES AS ANTICANCER AGENTS CENTRE LEON BERARD (FR) 2018-03-29 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 (3 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-20210292328-A1 BENZOIMIDAZOLE DERIVATIVES AS ANTICANCER AGENTS TMBIM6, BAX, MAPK14 SIRT2 1954/4885SIRT1 2241/4885HDAC6 200/4885
US-11384081-B2 Benzoimidazole derivatives as anticancer agents TMBIM6, BAX, MAPK14 SIRT2 1954/4885SIRT1 2241/4885HDAC6 200/4885
US-20220348587-A1 Benzoimidazole Derivatives As Anticancer Agents TMBIM6, BAX, BCL2 SIRT2 1990/4885SIRT1 2253/4885HDAC6 188/4885

“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.