SCHEMBL6475293

SCHEMBL6475293

Oc1ccc2nc(-c3ccccc3)n(Cc3ccccc3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
PDE6D O43924 2/20 0.68
ALDH2 P05091 1/20 0.68
ALDH3A1 P30838 1/20 0.68
ESR1 P03372 1/20 0.63
TP53 P04637 4/20 0.59
MAPT P10636 2/20 0.58
CYP11B2 P19099 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 2/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 3/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 1/20 0.52
BRD4 O60885 5/20 0.49
KDM4E B2RXH2 2/20 0.49
CNR2 P34972 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL8025467 0.91 TP53 (0.74) ALDH1A1PDE6DALDH2ALDH3A1ESR1
SCHEMBL5579681 0.84 ALDH1A1 (0.62) ALDH1A1PDE6DALDH2ALDH3A1ESR1
SCHEMBL15474496 0.84 ALDH1A1 (0.80) ALDH1A1PDE6DALDH2ALDH3A1ESR1
SCHEMBL29412125 0.84 TP53 (0.72) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL15568359 0.83 TP53 (0.76) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL5033448 0.82 LMNA (0.48) ALDH1A1PDE6DALDH2ALDH3A1ESR1
SCHEMBL5579878 0.82 CASR (0.54) ALDH1A1PDE6DALDH2ALDH3A1ESR1
SCHEMBL28503579 0.82 ALDH1A1 (0.63) ALDH1A1PDE6DALDH2ALDH3A1TP53
Hydrochloric Acid SCHEMBL8025351 0.82 KDM4E (0.53) ALDH1A1PDE6DALDH2ALDH3A1ESR1
SCHEMBL229828 0.82 ALDH1A1 (1.00) ALDH1A1PDE6DALDH2ALDH3A1TP53

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 182/4885PDE6D 603/4885ALDH2 59/4885

“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.