SCHEMBL6484337

SCHEMBL6484337

COCCCn1c(-c2ccccc2)nc2ccc(OCCCCCC(=O)O)cc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.51
HPGD P15428 1/20 0.50
PDE3B Q13370 5/20 0.48
PDE3A Q14432 5/20 0.48
PDE2A O00408 4/20 0.48
PTGER4 P35408 2/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
LTB4R Q15722 1/20 0.46
P2RY12 Q9H244 2/20 0.45
PLA2G2A P14555 1/20 0.44
TP53 P04637 1/20 0.44
TOP1 P11387 1/20 0.43
HDAC1 Q13547 1/20 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
SCHEMBL6474555 0.95 HPGD (0.57) PIN1HPGDPDE3BPDE3APDE2A
SCHEMBL6483724 0.93 DPP4 (0.48) PIN1PDE3BPDE3APDE2APTGER4
SCHEMBL6484026 0.93 KDM4E (0.51) PIN1HPGDPDE3BPDE3APDE2A
SCHEMBL6475593 0.92 PIN1 (0.47) PIN1PDE3BPDE3APDE2APTGER4
SCHEMBL6484022 0.92 PDE3B (0.46) PIN1HPGDPDE3BPDE3APDE2A
SCHEMBL6484336 0.92 PDE3B (0.50) PIN1HPGDPDE3BPDE3APDE2A
SCHEMBL6480698 0.92 KDM4E (0.48) PIN1HPGDPDE3BPDE3APDE2A
SCHEMBL6475608 0.91 TBXAS1 (0.47) PIN1HPGDPDE3BPDE3APDE2A
SCHEMBL6475279 0.91 PIN1 (0.59) PIN1PDE3BPDE3APDE2APTGER4
SCHEMBL6602080 0.90 SIRT2 (0.46) PIN1PDE3BPDE3APDE2APTGER4

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 4 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
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

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 PIN1 4859/4885HPGD 800/4885PDE3B 210/4885

“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.