SCHEMBL6482133

SCHEMBL6482133

C=CCn1c(-c2ccccc2)nc2cc(OCCCCCC(=O)OC)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTGER4 P35408 5/20 0.48
LTB4R Q15722 1/20 0.46
PDE3B Q13370 5/20 0.46
PDE3A Q14432 5/20 0.46
P2RY12 Q9H244 4/20 0.46
PDE2A O00408 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
HDAC1 Q13547 3/20 0.43

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
SCHEMBL6484039 0.93 KDM4E (0.51) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6485891 0.91 KDM4E (0.49) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6475234 0.88 DRD3 (0.46) LTB4RPDE3BPDE3AP2RY12PDE2A
SCHEMBL6475231 0.88 DRD3 (0.46) LTB4RPDE3BPDE3AP2RY12PDE2A
SCHEMBL6482127 0.87 PTGER4 (0.49) KDM4EALDH1A1HPGDTSHRL3MBTL1
SCHEMBL6482841 0.85 GAA (0.51) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL6474089 0.85 DRD3 (0.43) LTB4RPDE3BPDE3AP2RY12PDE2A
SCHEMBL6474086 0.85 DRD3 (0.43) LTB4RPDE3BPDE3AP2RY12PDE2A
SCHEMBL6474287 0.84 LTB4R (0.46) KDM4EHSD17B10L3MBTL1LTB4RPDE3B
SCHEMBL6483191 0.83 KDM4E (0.49) KDM4EALDH1A1MAPTHPGDSMN1; SMN2

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 10 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 claimed
EP-1404321-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES Schering Aktiengesellschaft (DE) 2004-04-07 EP claimed
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 claimed
WO-2003004023-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-16 WO claimed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US disclosed
US-20050203108-A1 Glucagon antagonists/inverse agonists PFIZER INC 2005-09-15 US disclosed
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
EP-1404321-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES Schering Aktiengesellschaft (DE) 2004-04-07 EP 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
WO-2003004023-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-16 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 (3 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 KDM4E 2227/4885ALDH1A1 3567/4885MAPT 2851/4885
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 KDM4E 1512/4885ALDH1A1 182/4885MAPT 1593/4885
US-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR KDM4E 3664/4885ALDH1A1 3968/4885MAPT 4379/4885

“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.