SCHEMBL6475362

SCHEMBL6475362

COc1ccc2nc(-c3ccccc3)n(Cc3ccccc3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.74
TP53 P04637 8/20 0.74
HTT P42858 5/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
MAPT P10636 5/20 0.74
HPGD P15428 2/20 0.74
NPSR1 Q6W5P4 1/20 0.74
BRD4 O60885 1/20 0.71
KDM4E B2RXH2 4/20 0.68
LMNA P02545 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
CNR2 P34972 1/20 0.68
PDE6D O43924 3/20 0.63
ALDH2 P05091 1/20 0.63
ALDH3A1 P30838 1/20 0.63
GAA P10253 1/20 0.59
POLB P06746 1/20 0.56
CYP11B2 P19099 1/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL8021688 0.88 BRD4 (0.63) ALDH1A1TP53HTTSMN1; SMN2MAPT
SCHEMBL28480003 0.85 BRD4 (0.57) ALDH1A1TP53HTTSMN1; SMN2MAPT
SCHEMBL5036280 0.84 HTT (0.59) ALDH1A1TP53HTTSMN1; SMN2MAPT
SCHEMBL29412125 0.83 TP53 (0.72) ALDH1A1TP53HTTSMN1; SMN2MAPT
SCHEMBL16489446 0.83 BRD4 (1.00) BRD4
SCHEMBL18890513 0.83 BRD4 (0.58) ALDH1A1TP53HTTSMN1; SMN2MAPT
SCHEMBL10443668 0.83 ALDH1A1 (0.92) ALDH1A1TP53HTTSMN1; SMN2MAPT
SCHEMBL10443667 0.82 ALDH1A1 (0.82) ALDH1A1TP53HTTSMN1; SMN2MAPT
SCHEMBL5582025 0.81 ALDH1A1 (1.00) ALDH1A1TP53HTTSMN1; SMN2MAPT
SCHEMBL4694620 0.81 BRD4 (0.53) ALDH1A1TP53HTTSMN1; SMN2MAPT

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 ALDH1A1 182/4885TP53 4161/4885HTT 2087/4885

“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.