SCHEMBL900561

SCHEMBL900561

O=C(c1cc2ccccc2o1)c1nc2ccccc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.64
RAB9A P51151 9/20 0.64
MAPT P10636 7/20 0.64
GALK1 P51570 1/20 0.64
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
ALDH1A1 P00352 6/20 0.62
HPGD P15428 5/20 0.62
POLB P06746 2/20 0.62
APEX1 P27695 2/20 0.62
FLT3 P36888 1/20 0.59
NPSR1 Q6W5P4 2/20 0.55
MAPK1 P28482 3/20 0.54
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
KDM4E B2RXH2 5/20 0.48
CASP3 P42574 1/20 0.48

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
SCHEMBL28663146 0.83 KDM4E (0.61) NPC1RAB9AMAPTGALK1MEN1
SCHEMBL6319718 0.78 ALDH1A1 (0.66) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1943189 0.78 CSNK2A2 (0.53) NPC1RAB9AMAPTGALK1MEN1
SCHEMBL2245324 0.77 CSNK2A2 (0.74) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL244107 0.77 FLT3 (1.00) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL31061078 0.77 FLT3 (1.00) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL28260357 0.75 RAB9A (0.61) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL12351258 0.73 APEX1 (0.71) NPC1RAB9AMAPTGALK1MEN1
SCHEMBL27623260 0.72 HSD17B1 (0.67) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL24751 0.72 HSD17B1 (0.62) NPC1RAB9AMAPTMEN1KMT2A

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 NPC1 2379/4885RAB9A 2931/4885MAPT 2901/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 NPC1 2013/4885RAB9A 2802/4885MAPT 3180/4885

“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.