SCHEMBL2213751

SCHEMBL2213751

Cc1ccc(-n2c(-c3cccnc3)nc3ccc(OCCCCCC(=O)N(C)C)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.42
G6PD P11413 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
MAPT P10636 4/20 0.39
GBA1 P04062 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DHFR P00374 1/20 0.37
AKT1 P31749 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2213244 0.99 AOC3 (0.43) AOC3G6PDPDE3BPDE3AP2RY12
SCHEMBL2215682 0.91 PPARG (0.48) AOC3G6PDPDE3BPDE3AP2RY12
SCHEMBL1378151 0.91 ALDH1A1 (0.44) AOC3G6PDCYP11B1CYP11B2MAPT
SCHEMBL2211748 0.90 PPARG (0.47) AOC3G6PDPDE3BPDE3ACYP11B1
SCHEMBL2212913 0.90 ALDH1A1 (0.44) AOC3G6PDCYP11B1CYP11B2MAPT
SCHEMBL2215788 0.89 PDE3B (0.45) AOC3G6PDPDE3BPDE3AP2RY12
SCHEMBL2818911 0.88 AOC3 (0.41) AOC3G6PDPDE3BPDE3AP2RY12
SCHEMBL2212909 0.88 PDE3B (0.45) AOC3G6PDPDE3BPDE3AP2RY12
SCHEMBL2211572 0.87 G6PD (0.46) AOC3G6PDPDE3BPDE3AP2RY12
SCHEMBL6619017 0.86 CYP19A1 (0.47) AOC3G6PDCYP11B1CYP11B2MAPT

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 7 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
EP-1474415-B1 1-PHENYL-2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, THE USE THEREOF FOR PRODUCING DRUGS USED IN THE TREATMENT OF IMMUNOLOGICAL DISEASES BAYER SCHERING PHARMA AG (DE) 2011-07-27 EP disclosed
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
US-20030229085-A1 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) 2003-12-11 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 (2 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 AOC3 2681/4885G6PD 1355/4885PDE3B 644/4885
US-20030229085-A1 1-Phenyl-2-heteroaryl-substituted benzimdazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives CD4, ICOS, NFATC1 AOC3 1556/4885G6PD 1144/4885PDE3B 545/4885

“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.