SCHEMBL6476264

SCHEMBL6476264

COC(=O)CCCCCOc1ccc2nc(-c3ccc(OC)cc3)n(CCCNCCCn3ccnc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
NAMPT P43490 2/20 0.46
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
ATM Q13315 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DYRK1A Q13627 1/20 0.42
PDE2A O00408 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
QPCT Q16769 1/20 0.42
TBXAS1 P24557 2/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL6484680 0.95 TSHR (0.54) ALDH1A1TSHRMAPK1NAMPTGAA
SCHEMBL6475324 0.88 PDE3B (0.47) ALDH1A1TSHRGAAKDM4ESMN1; SMN2
SCHEMBL6487561 0.85 DYRK1A (0.49) ALDH1A1TSHRGAAKDM4ESMN1; SMN2
SCHEMBL6483313 0.83 PDE3B (0.50) ALDH1A1TSHRGAAKDM4ESMN1; SMN2
SCHEMBL6484254 0.83 PDE3B (0.50) ALDH1A1TSHRGAAKDM4EMAPT
SCHEMBL6476018 0.82 PDE3B (0.48) ALDH1A1TSHRGAAKDM4ESMN1; SMN2
SCHEMBL6484684 0.81 DRD3 (0.56) ALDH1A1TSHRGAAKDM4EDYRK1A
SCHEMBL6485221 0.80 MC4R (0.58) MAPTDYRK1APDE2APDE3BPDE3A
SCHEMBL6474142 0.80 MC4R (0.52) DYRK1APDE2APDE3BPDE3AP2RY12
SCHEMBL6481683 0.79 PDE3B (0.49) ALDH1A1KDM4ESMN1; SMN2DYRK1APDE2A

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 ALDH1A1 182/4885TSHR 3269/4885MAPK1 1137/4885

“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.