SCHEMBL2821031

SCHEMBL2821031

CNC(=O)CCCCCOc1ccc2nc(-c3ccsc3)n(-c3ccc(C)cc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.42
PDE3A Q14432 7/20 0.42
P2RY12 Q9H244 6/20 0.42
PDE2A O00408 4/20 0.39
AVPR1B P47901 1/20 0.38
DHFR P00374 1/20 0.36
HDAC1 Q13547 3/20 0.36
TOP1 P11387 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
DPP4 P27487 4/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HDAC2 Q92769 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL2214087 0.91 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2AAVPR1B
SCHEMBL6618987 0.90 PDE3B (0.45) PDE3BPDE3AP2RY12PDE2ADHFR
SCHEMBL2213928 0.90 PDE3B (0.45) PDE3BPDE3AP2RY12PDE2ADHFR
SCHEMBL2214799 0.90 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2AAVPR1B
SCHEMBL2213642 0.89 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2ADHFR
SCHEMBL2214047 0.89 MEN1 (0.45) PDE3BPDE3AP2RY12AVPR1B
SCHEMBL2818827 0.88 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2AAVPR1B
SCHEMBL2211718 0.87 PDE3B (0.45) PDE3BPDE3AP2RY12PDE2ADHFR
SCHEMBL7109132 0.86 PDE3B (0.33) PDE3BPDE3AP2RY12HDAC1ATAD2
SCHEMBL6618358 0.85 DHFR (0.41) PDE2ADHFR

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-7683081-B2 1-phenyl-2-heteroaryl-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-23 US claimed
US-6962932-B2 1-phenyl-2-heteroaryl-substituted benzimdazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-11-08 US claimed
US-7683081-B2 1-phenyl-2-heteroaryl-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-23 US disclosed
US-20050267160-A1 1-Phenyl-2-heteroaryl-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-01 US disclosed
US-6962932-B2 1-phenyl-2-heteroaryl-substituted benzimdazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-11-08 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-20050267160-A1 1-Phenyl-2-heteroaryl-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives CD4, NFATC1, ICOS PDE3B 644/4885PDE3A 534/4885P2RY12 618/4885

“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.