SCHEMBL6483378

SCHEMBL6483378

COC(=O)CCCCCOc1ccc2nc(-c3ccccc3)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.63
▸ PPARA Q07869 1/20 0.63
▸ HDAC3 O15379 14/20 0.62
▸ HDAC4 P56524 14/20 0.62
▸ HDAC1 Q13547 14/20 0.62
▸ HDAC7 Q8WUI4 14/20 0.62
▸ HDAC2 Q92769 14/20 0.62
▸ HDAC10 Q969S8 14/20 0.62
▸ HDAC11 Q96DB2 14/20 0.62
▸ HDAC8 Q9BY41 14/20 0.62
▸ HDAC6 Q9UBN7 14/20 0.62
▸ HDAC9 Q9UKV0 14/20 0.62
▸ HDAC5 Q9UQL6 14/20 0.62
▸ PDE3B Q13370 2/20 0.61
▸ PDE3A Q14432 2/20 0.61
▸ P2RY12 Q9H244 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ TP53 P04637 2/20 0.61

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
SCHEMBL2360407 0.92 HDAC3 (0.59) PPARGPPARAHDAC3HDAC4HDAC1
SCHEMBL5881122 0.86 PPARG (0.59) PPARGPPARAHDAC3HDAC4HDAC1
SCHEMBL13329870 0.78 NPC1 (0.66) PPARGPPARAHDAC3HDAC4HDAC1
SCHEMBL20982671 0.77 CHEK2 (0.56) PPARGPPARAHDAC3HDAC4HDAC1
SCHEMBL14539300 0.76 HDAC1 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6475372 0.76 PDE3B (0.57) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL21017805 0.75 CHEK2 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13305860 0.75 PPARG (0.64) PPARGPPARAHDAC3HDAC4HDAC1
SCHEMBL20445328 0.75 NPC1 (1.00) KDM4ENPC1ALDH1A1TP53HPGD
SCHEMBL7049254 0.75 HDAC1 (0.72) PPARGPPARAHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855714-B2 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-15 — — US disclosed
EP-1404321-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES Schering Aktiengesellschaft (DE) 2004-04-07 — — EP disclosed
US-20030055057-A1 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutial agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2003-03-20 — — US disclosed
WO-2003004023-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-16 — — 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-20030055057-A1 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutial agents as well as pharmaceutical preparations that contain these derivatives ARG2, MSR1, ARG1 PPARG 41/4885PPARA 108/4885HDAC3 198/4885

“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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