SCHEMBL6484591

SCHEMBL6484591

COCCCNC(=O)CCCCCOc1ccc2nc(-c3ccc(OC)cc3)n(CCCOC)c2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.49
MTNR1B P49286 5/20 0.49
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.46
HPGD P15428 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
THRB P10828 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
AVPR1B P47901 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PIN1 Q13526 3/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 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
SCHEMBL6476748 0.95 MAPT (0.47) MTNR1AMTNR1BALDH1A1SMN1; SMN2KDM4E
SCHEMBL6474865 0.93 GRIN2B (0.45) MTNR1AMTNR1BALDH1A1SMN1; SMN2KDM4E
SCHEMBL6475812 0.92 PIN1 (0.54) MTNR1AMTNR1BKDM4EHPGDMEN1
SCHEMBL6484584 0.91 HDAC1 (0.45) MTNR1AMTNR1BALDH1A1SMN1; SMN2KDM4E
SCHEMBL6475524 0.91 HDAC1 (0.47) MTNR1AMTNR1BHPGDMEN1KMT2A
SCHEMBL6476675 0.91 PIN1 (0.46) MTNR1AMTNR1BKDM4EHPGDMEN1
SCHEMBL6476045 0.91 ABL1 (0.46) MTNR1AMTNR1BHPGDMEN1KMT2A
SCHEMBL6481696 0.90 SMN1; SMN2 (0.45) MTNR1AMTNR1BALDH1A1SMN1; SMN2HPGD
SCHEMBL6484254 0.90 PDE3B (0.50) MTNR1AMTNR1BALDH1A1SMN1; SMN2KDM4E
SCHEMBL6484026 0.89 KDM4E (0.51) ALDH1A1SMN1; SMN2KDM4EGAAHPGD

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 MTNR1A 235/4885MTNR1B 227/4885ALDH1A1 182/4885

“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.