SCHEMBL6474737

SCHEMBL6474737

CCCn1c(-c2ccccc2)nc2ccc(OCCCCCC(=O)OC)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.51
PDE3A Q14432 7/20 0.51
P2RY12 Q9H244 6/20 0.51
PDE2A O00408 2/20 0.51
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LTB4R Q15722 1/20 0.48
ACSS2 Q9NR19 2/20 0.46
PIN1 Q13526 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FAAH O00519 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
TOP1 P11387 1/20 0.45
HDAC1 Q13547 1/20 0.45
AVPR1B P47901 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
SCHEMBL6476128 0.92 HPGD (0.55) PDE3BPDE3AP2RY12PDE2AKDM4E
SCHEMBL6482127 0.92 PTGER4 (0.49) PDE3BPDE3AP2RY12PDE2AGAA
SCHEMBL6484336 0.91 PDE3B (0.50) PDE3BPDE3AP2RY12PDE2AKDM4E
SCHEMBL6483459 0.89 GAA (0.51) PDE3BPDE3AP2RY12PDE2AGAA
SCHEMBL6474853 0.89 ALDH1A1 (0.51) PDE3BPDE3AP2RY12PDE2AKDM4E
SCHEMBL6475372 0.88 PDE3B (0.57) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL7112442 0.88 MAPT (0.53) GAAKDM4EALDH1A1LMNATSHR
SCHEMBL6484039 0.87 KDM4E (0.51) PDE3BPDE3AP2RY12PDE2AKDM4E
SCHEMBL6484042 0.86 TSPO (0.47) PDE3BPDE3AP2RY12PDE2AGAA
SCHEMBL6475559 0.86 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2AGAA

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 3 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
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
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 PDE3B 210/4885PDE3A 226/4885P2RY12 562/4885

“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.