SCHEMBL900538

SCHEMBL900538

CN1CCC(/N=C(/c2cc3ccccc3o2)c2nc3ccccc3s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.49
NPC1 O15118 7/20 0.49
MAPT P10636 3/20 0.49
GALK1 P51570 1/20 0.49
HPGD P15428 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 3/20 0.37
CASP3 P42574 1/20 0.37
HTT P42858 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL900539 1.00 RAB9A (0.49) RAB9ANPC1MAPTGALK1HPGD
SCHEMBL900395 0.78 UBE2M (0.49) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL900396 0.78 UBE2M (0.49) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL900212 0.72 MAPT (0.45) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL900213 0.72 MAPT (0.45) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL900561 0.71 NPC1 (0.64) RAB9ANPC1MAPTGALK1HPGD
Oxalic Acid SCHEMBL900716 0.65 APEX1 (0.46) RAB9ANPC1MAPTGALK1HPGD
SCHEMBL900717 0.64 APEX1 (0.46) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL27200342 0.64 RAB9A (0.46) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL9910974 0.64 ACHE (0.63) RAB9ANPC1HPGDHRH4SMN1; SMN2

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