SCHEMBL7115771

SCHEMBL7115771

COCCCn1c(-c2cccnc2)nc2ccc(OCCCCCC(=O)OC)cc21.COCCCn1c(-c2ccncc2)nc2ccc(OCCCCCC(=O)OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.44
PDE3A Q14432 7/20 0.44
P2RY12 Q9H244 6/20 0.44
PDE2A O00408 2/20 0.44
GBA1 P04062 1/20 0.42
AVPR1B P47901 1/20 0.41
DYRK1A Q13627 3/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
PIN1 Q13526 3/20 0.40
TP53 P04637 1/20 0.39
EGFR P00533 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL6474978 0.97 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2AGBA1
SCHEMBL6481683 0.93 PDE3B (0.49) PDE3BPDE3AP2RY12PDE2AAVPR1B
SCHEMBL6526290 0.90 CYP11B1 (0.43) PDE3BPDE3AP2RY12PDE2AAVPR1B
SCHEMBL6475608 0.89 TBXAS1 (0.47) PDE3BPDE3AP2RY12PDE2AAVPR1B
SCHEMBL6484336 0.89 PDE3B (0.50) PDE3BPDE3AP2RY12PDE2AAVPR1B
SCHEMBL6485249 0.85 PDE3B (0.50) PDE3BPDE3AP2RY12PDE2AAVPR1B
SCHEMBL6484254 0.85 PDE3B (0.50) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL6484022 0.85 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2AAVPR1B
SCHEMBL6484869 0.85 PDE3B (0.49) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL6476128 0.84 HPGD (0.55) PDE3BPDE3AP2RY12PDE2AAVPR1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.