SCHEMBL900717

SCHEMBL900717

CN1CCC(N(OC(=O)C(=O)ON(C2CCN(C)CC2)C(c2cc3ccccc3o2)c2nc3ccccc3s2)C(c2cc3ccccc3o2)c2nc3ccccc3s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.46
BCHE P06276 1/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
GAA P10253 1/20 0.37
OPRK1 P41145 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
HRH4 Q9H3N8 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
ALOX5 P09917 1/20 0.36
RAB9A P51151 5/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 3/20 0.34
THRB P10828 1/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL900476 0.76 MAPT (0.41) ALDH1A1HPGDKDM4EMAPTMEN1
Oxalic Acid SCHEMBL900716 0.76 APEX1 (0.46) APEX1BCHEALDH1A1HPGDGAA
SCHEMBL2561463 0.67 ALOX5 (0.49) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL900538 0.64 RAB9A (0.49) APEX1ALDH1A1HPGDKDM4EMAPT
SCHEMBL900539 0.64 RAB9A (0.49) APEX1ALDH1A1HPGDKDM4EMAPT
SCHEMBL2560814 0.63 ALOX5 (0.47) APEX1ALDH1A1HPGDMAPTMEN1
SCHEMBL2720403 0.63 SLC6A2 (0.43) APEX1HPGDGAAHRH3TSHR
SCHEMBL2722795 0.62 CHRM2 (0.47) HPGDGAAMAPTRAB9AHRH3
SCHEMBL5244816 0.62 EBP (0.58) ALDH1A1MAPTKMT2APOLBRAB9A
SCHEMBL900092 0.62 CHRM2 (0.63) HPGDGAAOPRK1MAPTMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621916-B1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2016-02-10 EP disclosed
US-9029357-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2015-05-12 US disclosed
US-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET SOC CIV (FR) 2015-01-01 US disclosed
US-8802664-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJECT (FR) 2014-08-12 US disclosed
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET (FR) 2013-09-05 US disclosed
EP-2621916-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2013-08-07 EP disclosed
EP-2447263-A1 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2012-05-02 EP disclosed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 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 (2 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-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 APEX1 4884/4885BCHE 206/4885ALDH1A1 2893/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 APEX1 4884/4885BCHE 271/4885ALDH1A1 1305/4885

“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.