SCHEMBL6483191

SCHEMBL6483191

C=CCn1c(-c2ccccc2)nc2ccc(OCCCCCC(=O)O)cc21

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
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
PDE2A O00408 3/20 0.45
PDE3B Q13370 3/20 0.45
PDE3A Q14432 3/20 0.45
P2RY12 Q9H244 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PDE6D O43924 1/20 0.45
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44

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
SCHEMBL6485891 0.92 KDM4E (0.49) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6484039 0.91 KDM4E (0.51) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6476694 0.88 PLA2G2A (0.55) ALDH1A1MAPTHPGDSMN1; SMN2TP53
SCHEMBL6483182 0.88 KDM4E (0.57) KDM4EHSD17B10PPARGPPARAPDE2A
SCHEMBL6475957 0.87 PPARA (0.50) PPARGPPARAPDE2APDE3BPDE3A
SCHEMBL6475960 0.87 PPARA (0.50) PPARGPPARAPDE2APDE3BPDE3A
SCHEMBL6474555 0.84 HPGD (0.57) KDM4EALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL6484337 0.83 PIN1 (0.51) KDM4EALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL6482133 0.83 KDM4E (0.51) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6475143 0.82 PPARG (0.46) KDM4EHSD17B10PPARGPPARAPDE2A

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.