SCHEMBL6474886

SCHEMBL6474886

COCCCNc1cc(O)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
ALDH1A1 P00352 7/20 0.52
MAPT P10636 6/20 0.52
HTT P42858 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KAT2B Q92831 1/20 0.50
HCAR3 P49019 1/20 0.50
ALPG P10696 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.48
PTGER4 P35408 1/20 0.46
RAB9A P51151 1/20 0.46
FBP1 P09467 1/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL8313477 0.85 KAT2B (0.69) LMNAALDH1A1MAPTHTTL3MBTL1
SCHEMBL739095 0.85 MAPT (0.64) LMNAALDH1A1MAPTHTTL3MBTL1
SCHEMBL4980984 0.85 HCAR3 (0.58) LMNAALDH1A1MAPTL3MBTL1KAT2B
SCHEMBL1046670 0.84 LMNA (0.57) LMNAALDH1A1MAPTHTTL3MBTL1
SCHEMBL7745956 0.84 LMNA (0.57) LMNAALDH1A1MAPTHTTL3MBTL1
SCHEMBL741469 0.84 MAPT (0.70) LMNAALDH1A1MAPTHTTL3MBTL1
SCHEMBL742213 0.83 ALDH1A1 (0.58) LMNAALDH1A1MAPTHTTL3MBTL1
SCHEMBL2220740 0.81 MAPT (0.59) LMNAALDH1A1MAPTHTTKAT2B
SCHEMBL740421 0.81 KAT2B (0.56) LMNAALDH1A1MAPTHTTL3MBTL1
SCHEMBL8313808 0.81 MAPT (0.56) LMNAALDH1A1MAPTHTTKAT2B

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 LMNA 3046/4885ALDH1A1 182/4885MAPT 1593/4885

“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.