SCHEMBL6483459

SCHEMBL6483459

CCOC(=O)Cn1c(-c2ccccc2)nc2ccc(OCCCCCC(=O)OC)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PDE3B Q13370 6/20 0.48
PDE3A Q14432 6/20 0.48
P2RY12 Q9H244 5/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
AR P10275 3/20 0.47
PDE2A O00408 2/20 0.47
HSD17B10 Q99714 1/20 0.46
LTB4R Q15722 1/20 0.46
PLA2G2A P14555 1/20 0.45
ACSS2 Q9NR19 1/20 0.45
MAPT P10636 2/20 0.44
KMT2A Q03164 1/20 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
SCHEMBL6482841 0.93 GAA (0.51) GAAL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL6484042 0.90 TSPO (0.47) GAAL3MBTL1PDE3BPDE3AP2RY12
SCHEMBL6475559 0.90 PDE3B (0.47) GAAL3MBTL1PDE3BPDE3AP2RY12
SCHEMBL6474737 0.89 PDE3B (0.51) GAAL3MBTL1PDE3BPDE3AP2RY12
SCHEMBL6476128 0.87 HPGD (0.55) PDE3BPDE3AP2RY12KDM4EALDH1A1
SCHEMBL6474853 0.87 ALDH1A1 (0.51) L3MBTL1PDE3BPDE3AP2RY12KDM4E
SCHEMBL6484336 0.86 PDE3B (0.50) PDE3BPDE3AP2RY12KDM4EALDH1A1
SCHEMBL6484039 0.85 KDM4E (0.51) L3MBTL1PDE3BPDE3AP2RY12KDM4E
SCHEMBL6481891 0.85 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL6481888 0.85 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2ALTB4R

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 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

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 GAA 742/4885L3MBTL1 3749/4885CYP1A2 113/4885

“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.