SCHEMBL6485891

SCHEMBL6485891

C=CCn1c(-c2ccccc2)nc2cc(OCCCCCC(=O)O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTGER4 P35408 4/20 0.47
NPSR1 Q6W5P4 1/20 0.45
PDE6D O43924 1/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC1 Q13547 2/20 0.44
TOP1 P11387 1/20 0.44
LTB4R Q15722 5/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL6483191 0.92 KDM4E (0.49) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6482133 0.91 KDM4E (0.51) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6475246 0.88 KDM4E (0.57) KDM4EHSD17B10HDAC1TOP1LTB4R
SCHEMBL6475198 0.87 PPARA (0.50) DRD2DRD3HDAC1TOP1LTB4R
SCHEMBL6475201 0.87 PPARA (0.50) DRD2DRD3HDAC1TOP1LTB4R
SCHEMBL6484039 0.83 KDM4E (0.51) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6476466 0.82 KDM4E (0.46) KDM4EHSD17B10HDAC1TOP1LTB4R
SCHEMBL6481791 0.81 TSPO (0.46) KDM4EHSD17B10L3MBTL1DRD2DRD3
SCHEMBL6475960 0.80 PPARA (0.50) DRD2DRD3HDAC1TOP1PPARG
SCHEMBL6475957 0.80 PPARA (0.50) DRD2DRD3HDAC1TOP1PPARG

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
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 claimed
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 claimed
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 claimed
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 claimed
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

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 KDM4E 1512/4885ALDH1A1 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.