Sugi Predict

Sugi Predict / Compounds / SCHEMBL900517

SCHEMBL900517

SCHEMBL900517

COC(=O)C(CSc1cccc(C(OC2CCN(C)CC2)c2nc3ccccc3[nH]2)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.39
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ AAK1 Q2M2I8 3/20 0.35
▸ BCHE P06276 1/20 0.34
▸ GSTP1 P09211 1/20 0.34
▸ GSTM2 P28161 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PIN1 Q13526 1/20 0.34
▸ CHRM2 P08172 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ DRD3 P35462 1/20 0.33

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
SCHEMBL901292 0.87 CHRM2 (0.36) BCHETSHRCHRM2HTR1AADRA2A
SCHEMBL900627 0.86 CHRM2 (0.38) TSHRCHRM2HTR1AADRA2ACYP2D6
SCHEMBL2722470 0.86 BCHE (0.43) BCHETSHRCHRM2HTR1AADRA2A
SCHEMBL2720020 0.84 BCHE (0.42) BCHETSHRCHRM2HTR1AADRA2A
SCHEMBL901010 0.82 ALOX15 (0.42) TSHRCHRM2HTR1AADRA2ACYP2D6
SCHEMBL901049 0.82 AAK1 (0.31) AAK1L3MBTL1
SCHEMBL2720563 0.81 CHRM2 (0.40) TSHRCHRM2HTR1AADRA2ACYP2D6
SCHEMBL2722064 0.81 HRH3 (0.42) TSHRCHRM2HTR1AADRA2ACYP2D6
SCHEMBL2722075 0.80 ALOX15 (0.40) TSHRCHRM2HTR1AADRA2ACYP2D6
SCHEMBL2721970 0.80 AAK1 (0.38) PTPN1AAK1BCHECHRM2HTR1A

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 7 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
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 PTPN1 4730/4885NFKB1 3477/4885NFKB2 4167/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 PTPN1 4670/4885NFKB1 3323/4885NFKB2 4080/4885

“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.