SCHEMBL6474853

SCHEMBL6474853

COC(=O)CCCCCOc1ccc2nc(-c3ccccc3)n(Cc3ccccc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 2/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
BRD4 O60885 1/20 0.51
PDE6D O43924 6/20 0.50
ESR1 P03372 1/20 0.50
PDE3B Q13370 3/20 0.49
PDE3A Q14432 3/20 0.49
P2RY12 Q9H244 3/20 0.49
PLA2G2A P14555 4/20 0.49
PDE2A O00408 1/20 0.48
LTB4R Q15722 1/20 0.48
ALDH2 P05091 1/20 0.47
ALDH3A1 P30838 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL6476694 0.90 PLA2G2A (0.55) ALDH1A1HTTSMN1; SMN2TP53MAPT
SCHEMBL6474225 0.90 PDE6D (0.49) ALDH1A1HTTSMN1; SMN2TP53MAPT
SCHEMBL6484039 0.89 KDM4E (0.51) ALDH1A1HTTSMN1; SMN2TP53MAPT
SCHEMBL6474737 0.89 PDE3B (0.51) ALDH1A1HPGDNPSR1PDE3BPDE3A
SCHEMBL6476128 0.89 HPGD (0.55) ALDH1A1SMN1; SMN2HPGDPDE3BPDE3A
SCHEMBL6484336 0.88 PDE3B (0.50) ALDH1A1SMN1; SMN2HPGDPDE3BPDE3A
SCHEMBL6483459 0.87 GAA (0.51) ALDH1A1HTTMAPTHPGDPDE3B
SCHEMBL6481891 0.86 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL6481888 0.86 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL6475372 0.86 PDE3B (0.57) PDE3BPDE3AP2RY12PDE2ALTB4R

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 6 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
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
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 (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-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 ALDH1A1 182/4885HTT 2087/4885SMN1; SMN2 1003/4885

“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.