Sugi Predict

Sugi Predict / Compounds / SCHEMBL900504

SCHEMBL900504

SCHEMBL900504

CCCCOc1cccc(C(O)c2nc3ccccc3s2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.58
▸ TSHR P16473 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ HPGD P15428 2/20 0.56
▸ ATP4A P20648 8/20 0.48
▸ ATP4B P51164 8/20 0.48
▸ ALOX5 P09917 2/20 0.47
▸ GPBAR1 Q8TDU6 2/20 0.46
▸ CYSLTR2 Q9NS75 2/20 0.46
▸ CYSLTR1 Q9Y271 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ MEN1 O00255 1/20 0.46

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
SCHEMBL900421 0.94 HPGD (0.58) MAPK1TSHRGAAHPGDATP4A
SCHEMBL900184 0.87 HPGD (0.58) MAPK1TSHRGAAHPGDALOX5
SCHEMBL900241 0.86 HPGD (0.53) MAPK1TSHRGAAHPGDATP4A
SCHEMBL2720018 0.77 CYP2D6 (0.42) MAPK1TSHRATP4AATP4BCYP1A2
SCHEMBL900494 0.76 HPGD (0.70) MAPK1TSHRGAAHPGDALOX5
SCHEMBL16822332 0.76 MAPT (0.40) MAPK1TSHRHPGDATP4AATP4B
SCHEMBL900715 0.76 GAA (0.73) MAPK1TSHRGAAHPGDNFKB1
SCHEMBL31160 0.76 GAA (0.62) MAPK1TSHRGAAHPGDCYP1A2
SCHEMBL15462906 0.75 MAPT (0.67) HPGDATP4AATP4BCYP1A2NFKB1
SCHEMBL900511 0.74 HPGD (1.00) MAPK1TSHRGAAHPGDALOX5

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 MAPK1 4011/4885TSHR 386/4885GAA 3188/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 MAPK1 3365/4885TSHR 295/4885GAA 2990/4885

“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.