SCHEMBL5410441

SCHEMBL5410441

CCCSc1nc2ccc(OCCCCCC(=O)OC)cc2n1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PDE3B Q13370 5/20 0.46
PDE3A Q14432 5/20 0.46
P2RY12 Q9H244 4/20 0.46
PDE2A O00408 2/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
AR P10275 2/20 0.45
APLNR P35414 2/20 0.44
TP53 P04637 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.43
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PPARG P37231 1/20 0.42

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
SCHEMBL5407528 0.92 AR (0.49) MEN1KMT2APDE3BPDE3AP2RY12
SCHEMBL5412668 0.92 MEN1 (0.54) MEN1KMT2APDE3BPDE3APDE2A
SCHEMBL5410432 0.89 MAPT (0.50) MEN1KMT2APDE3BPDE3AP2RY12
SCHEMBL6597060 0.86 MEN1 (0.39) MEN1KMT2APDE3BPDE3AP2RY12
SCHEMBL5414904 0.84 AR (0.50) MEN1KMT2APDE3BPDE3APDE2A
SCHEMBL5409644 0.84 MAPT (0.47) PDE3BPDE3AP2RY12PDE2AAR
SCHEMBL5418895 0.83 PDE3B (0.52) PDE3BPDE3AP2RY12PDE2AALDH1A1
SCHEMBL5407925 0.83 PDE3B (0.51) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL5409690 0.83 PDE3B (0.51) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL5412749 0.83 PDE3B (0.53) PDE3BPDE3AP2RY12PDE2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404656-B9 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AG (DE) 2005-10-19 EP claimed
EP-1404656-B1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AG (DE) 2005-05-18 EP claimed
EP-1404656-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-07 EP claimed
US-20030125550-A1 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2003-07-03 US claimed
WO-2003006438-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-23 WO claimed
US-7196202-B2 1-aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2007-03-27 US disclosed
EP-1404656-B9 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AG (DE) 2005-10-19 EP disclosed
US-20050143439-A1 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-30 US disclosed
US-6903126-B2 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2005-06-07 US disclosed
EP-1404656-B1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AG (DE) 2005-05-18 EP disclosed
US-20030125550-A1 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2003-07-03 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-20030125550-A1 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives MSR1, ARG2, ARG1 MEN1 4451/4885KMT2A 2370/4885PDE3B 471/4885
US-20050143439-A1 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives MSR1, ARG2, CYBB MEN1 4501/4885KMT2A 2159/4885PDE3B 323/4885

“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.