SCHEMBL2215682

SCHEMBL2215682

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
G6PD P11413 1/20 0.45
DPP4 P27487 4/20 0.44
LTB4R Q15722 1/20 0.43
AOC3 Q16853 2/20 0.43
PDE2A O00408 2/20 0.42
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
MAPT P10636 4/20 0.42
TBXAS1 P24557 3/20 0.42
P2RY12 Q9H244 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL2211748 0.99 PPARG (0.47) PPARGPPARAG6PDDPP4LTB4R
SCHEMBL2211572 0.96 G6PD (0.46) PPARGPPARAG6PDDPP4AOC3
SCHEMBL2214840 0.94 MAPT (0.48) PPARGPPARAG6PDLTB4RAOC3
SCHEMBL1378151 0.93 ALDH1A1 (0.44) PPARGPPARAG6PDDPP4AOC3
SCHEMBL1379177 0.93 MAPT (0.48) PPARGPPARAG6PDLTB4RAOC3
SCHEMBL2213278 0.92 CYP11B2 (0.45) PPARGPPARAG6PDLTB4RAOC3
SCHEMBL2212913 0.92 ALDH1A1 (0.44) PPARGPPARAG6PDDPP4AOC3
SCHEMBL2215788 0.91 PDE3B (0.45) PPARGPPARAG6PDLTB4RAOC3
SCHEMBL1378188 0.91 CYP11B2 (0.46) G6PDLTB4RAOC3PDE2APDE3B
SCHEMBL2327181 0.91 PPARG (0.52) PPARGPPARADPP4LTB4RPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014044611-A1 1-ARYL-2-HETEROARYL BENZIMIDAZOLES FOR THE INDUCTION OF NEURONAL REGENERATION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-03-27 WO 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 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-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 claimed
WO-2014044611-A1 1-ARYL-2-HETEROARYL BENZIMIDAZOLES FOR THE INDUCTION OF NEURONAL REGENERATION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-03-27 WO disclosed
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
EP-1474415-A1 1-PHENYL-2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, THE USE THEREOF FOR PRODUCING DRUGS USED IN THE TREATMENT OF IMMUNOLOGICAL DISEASES Schering Aktiengesellschaft (DE) 2004-11-10 EP 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
WO-2003068766-A1 1-PHENYL-2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, THE USE THEREOF FOR PRODUCING DRUGS USED IN THE TREATMENT OF IMMUNOLOGICAL DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-21 WO 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 PPARG 66/4885PPARA 163/4885G6PD 1355/4885
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 PPARG 84/4885PPARA 168/4885G6PD 1144/4885

“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.