SCHEMBL6475417

SCHEMBL6475417

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.48
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
PDE3B Q13370 7/20 0.47
PDE3A Q14432 7/20 0.47
P2RY12 Q9H244 6/20 0.47
PDE2A O00408 2/20 0.47
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
ALOX5AP P20292 2/20 0.41
DYRK1A Q13627 1/20 0.41
PPARD Q03181 1/20 0.41
MCHR1 Q99705 1/20 0.40

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
SCHEMBL6475050 0.93 PIN1 (0.56) PIN1KDM4ETDP1PDE3BPDE3A
SCHEMBL6487011 0.92 PIN1 (0.51) PIN1KDM4ETDP1PDE3BPDE3A
SCHEMBL6482090 0.91 PDE3B (0.47) PIN1KDM4ETDP1PDE3BPDE3A
SCHEMBL6476675 0.91 PIN1 (0.46) PIN1KDM4ETDP1JAK2JAK1
SCHEMBL6476172 0.90 PDE3B (0.48) PIN1KDM4EPDE3BPDE3AP2RY12
SCHEMBL6485249 0.90 PDE3B (0.50) PIN1KDM4EPDE3BPDE3AP2RY12
SCHEMBL6484254 0.90 PDE3B (0.50) PIN1KDM4EPDE3BPDE3AP2RY12
SCHEMBL6481683 0.89 PDE3B (0.49) PIN1KDM4EPDE3BPDE3AP2RY12
SCHEMBL6484869 0.89 PDE3B (0.49) PIN1KDM4EPDE3BPDE3AP2RY12
SCHEMBL6484336 0.88 PDE3B (0.50) PIN1KDM4EPDE3BPDE3AP2RY12

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 PIN1 4859/4885KDM4E 1512/4885TDP1 2048/4885

“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.