SCHEMBL6484473

SCHEMBL6484473

COCCCn1c(-c2ccc(OC(F)(F)F)cc2)nc2ccc(OCCCCCC(=O)O)cc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.47
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
PDE2A O00408 2/20 0.44
ALOX5AP P20292 5/20 0.43
PTGER4 P35408 3/20 0.43
FFAR4 Q5NUL3 4/20 0.43
FFAR1 O14842 3/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C9 P11712 1/20 0.42
SCN5A Q14524 1/20 0.42
MCL1 Q07820 1/20 0.41
P2RY12 Q9H244 2/20 0.41

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
SCHEMBL6482090 0.92 PDE3B (0.47) PIN1PDE3BPDE3APDE2AALOX5AP
SCHEMBL6487011 0.91 PIN1 (0.51) PIN1PDE3BPDE3APDE2AALOX5AP
SCHEMBL6480698 0.90 KDM4E (0.48) PIN1PDE3BPDE3APDE2APTGER4
SCHEMBL6483724 0.90 DPP4 (0.48) PIN1PDE3BPDE3APDE2APTGER4
SCHEMBL6484026 0.90 KDM4E (0.51) PIN1PDE3BPDE3APDE2APTGER4
SCHEMBL6476045 0.90 ABL1 (0.46) PIN1ALOX5AP
SCHEMBL6475279 0.89 PIN1 (0.59) PIN1PDE3BPDE3APDE2APTGER4
SCHEMBL6475593 0.89 PIN1 (0.47) PIN1PDE3BPDE3APDE2APTGER4
SCHEMBL6484337 0.89 PIN1 (0.51) PIN1PDE3BPDE3APDE2APTGER4
SCHEMBL6484022 0.87 PDE3B (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 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
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
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
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 PIN1 4859/4885PDE3B 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.