SCHEMBL6526290

SCHEMBL6526290

CCOC(=O)CCCCCOc1ccc2nc(-c3cccnc3)n(CCCOC)c2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
P2RY12 Q9H244 2/20 0.41
TBXAS1 P24557 2/20 0.41
PTGER4 P35408 3/20 0.41
AVPR1B P47901 1/20 0.41
PLA2G2A P14555 1/20 0.40
FAAH O00519 2/20 0.40
CYSLTR2 Q9NS75 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.40
PDE2A O00408 1/20 0.40
PIN1 Q13526 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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 0.93 PDE3B (0.47) CYP11B1CYP11B2MEN1KMT2APDE3B
SCHEMBL6475608 0.91 TBXAS1 (0.47) CYP11B1CYP11B2PDE3BPDE3AP2RY12
SCHEMBL7115771 0.90 PDE3B (0.44) CYP11B1CYP11B2PDE3BPDE3AP2RY12
SCHEMBL6484336 0.83 PDE3B (0.50) PDE3BPDE3AP2RY12PTGER4AVPR1B
SCHEMBL6481683 0.83 PDE3B (0.49) PDE3BPDE3AP2RY12PTGER4AVPR1B
SCHEMBL6600550 0.82 KDM4E (0.46) MEN1KMT2APDE3BPDE3AP2RY12
SCHEMBL6484337 0.81 PIN1 (0.51) PDE3BPDE3AP2RY12PTGER4PLA2G2A
SCHEMBL6484254 0.80 PDE3B (0.50) PDE3BPDE3AP2RY12PDE2APIN1
SCHEMBL6485249 0.80 PDE3B (0.50) PDE3BPDE3AP2RY12PTGER4AVPR1B
SCHEMBL6484022 0.80 PDE3B (0.46) PDE3BPDE3AP2RY12PTGER4AVPR1B

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 2 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 disclosed
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 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 CYP11B1 128/4885CYP11B2 63/4885MEN1 4502/4885

“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.