SCHEMBL6476128

SCHEMBL6476128

COCCn1c(-c2ccccc2)nc2ccc(OCCCCCC(=O)OC)cc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
PDE3B Q13370 7/20 0.51
PDE3A Q14432 7/20 0.51
P2RY12 Q9H244 6/20 0.51
PDE2A O00408 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTGER4 P35408 3/20 0.49
LTB4R Q15722 1/20 0.48
PIN1 Q13526 3/20 0.46
TOP1 P11387 1/20 0.45
HDAC1 Q13547 1/20 0.45
AVPR1B P47901 1/20 0.44
CASR P41180 1/20 0.44
ACSS2 Q9NR19 1/20 0.44

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
SCHEMBL6484336 0.95 PDE3B (0.50) HPGDPDE3BPDE3AP2RY12PDE2A
SCHEMBL6474737 0.92 PDE3B (0.51) HPGDPDE3BPDE3AP2RY12PDE2A
SCHEMBL6474555 0.92 HPGD (0.57) HPGDPDE3BPDE3AP2RY12PDE2A
SCHEMBL6474853 0.89 ALDH1A1 (0.51) HPGDPDE3BPDE3AP2RY12PDE2A
SCHEMBL6475372 0.88 PDE3B (0.57) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL6484254 0.88 PDE3B (0.50) HPGDPDE3BPDE3AP2RY12PDE2A
SCHEMBL6485249 0.88 PDE3B (0.50) PDE3BPDE3AP2RY12PDE2AKDM4E
SCHEMBL6484337 0.87 PIN1 (0.51) HPGDPDE3BPDE3AP2RY12PDE2A
SCHEMBL6484039 0.87 KDM4E (0.51) HPGDPDE3BPDE3AP2RY12PDE2A
SCHEMBL6483459 0.87 GAA (0.51) HPGDPDE3BPDE3AP2RY12PDE2A

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 5 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-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

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 HPGD 800/4885PDE3B 210/4885PDE3A 226/4885

“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.