SCHEMBL20001645

SCHEMBL20001645

CC(C)c1ccc(NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 7/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ P4HTM Q9NXG6 1/20 0.45
▸ MMP2 P08253 2/20 0.44
▸ MMP9 P14780 2/20 0.44
▸ MMP8 P22894 2/20 0.44
▸ MMP13 P45452 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL29698852 1.00 HPSE (0.47) HPSERAB9ANPC1MEN1KMT2A
SCHEMBL27005910 0.89 MAPT (0.52) HPSERAB9ANPC1MEN1KMT2A
SCHEMBL29698973 0.87 HPSE (0.61) HPSERAB9ANPC1MEN1KMT2A
SCHEMBL23845415 0.87 HPSE (0.61) HPSERAB9ANPC1MEN1KMT2A
SCHEMBL8770559 0.87 HPSE (0.61) HPSERAB9ANPC1MEN1KMT2A
SCHEMBL1663973 0.86 HPSE (0.63) HPSERAB9ANPC1MEN1KMT2A
SCHEMBL6126543 0.86 HPSE (0.63) HPSERAB9ANPC1MEN1KMT2A
SCHEMBL8767746 0.86 HPSE (0.63) HPSERAB9ANPC1MEN1KMT2A
SCHEMBL20001677 0.85 HPSE (0.49) HPSERAB9ANPC1MEN1KMT2A
SCHEMBL29698875 0.85 HPSE (0.51) HPSERAB9ANPC1MEN1KMT2A

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 HPSE 4099/4885RAB9A 2367/4885NPC1 3255/4885
US-11384081-B2 Benzoimidazole derivatives as anticancer agents TMBIM6, BAX, MAPK14 HPSE 4099/4885RAB9A 2367/4885NPC1 3255/4885
US-20220348587-A1 Benzoimidazole Derivatives As Anticancer Agents TMBIM6, BAX, BCL2 HPSE 4034/4885RAB9A 2426/4885NPC1 3283/4885

“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.

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