SCHEMBL900642

SCHEMBL900642

c1ccc2[nH]c(C(OC3CCNCC3)c3ccsc3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MLKL Q8NB16 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ IDO1 P14902 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HTR3A P46098 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CHEK1 O14757 3/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ PDE10A Q9Y233 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
SCHEMBL900473 0.86 DRD3 (0.47) MLKLALDH1A1IDO1POLBLMNA
SCHEMBL12474350 0.81 MLKL (0.49) MLKLALDH1A1IDO1POLBLMNA
SCHEMBL900325 0.81 MLKL (0.40) MLKLALDH1A1IDO1POLBLMNA
SCHEMBL15226866 0.75 CHRM2 (0.47) MLKLALDH1A1POLBLMNASMN1; SMN2
SCHEMBL15226867 0.74 CHRM2 (0.46) MLKLIDO1LMNASMN1; SMN2HTR3A
SCHEMBL9563276 0.73 SLC6A4 (0.41) —
SCHEMBL2719928 0.71 CHRM2 (0.64) MLKLALDH1A1IDO1POLBLMNA
SCHEMBL4490876 0.69 ALDH1A1 (0.51) MLKLALDH1A1IDO1POLBLMNA
SCHEMBL899887 0.68 MLKL (0.62) MLKLLMNASMN1; SMN2HTR3AKDM4E
SCHEMBL2722427 0.67 CHRM1 (0.52) MLKLALDH1A1POLBSMN1; SMN2HTR3A

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 12 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 claimed
US-9029357-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2015-05-12 — — US claimed
US-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET SOC CIV (FR) 2015-01-01 — — US claimed
US-8802664-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJECT (FR) 2014-08-12 — — US claimed
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET (FR) 2013-09-05 — — US claimed
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 MLKL 1675/4885ALDH1A1 2893/4885IDO1 576/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 MLKL 2043/4885ALDH1A1 1305/4885IDO1 601/4885

“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.

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