SCHEMBL900791

SCHEMBL900791

Cc1nc2c(-c3ccccc3)cccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
RET P07949 1/20 0.41
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
MAPK14 Q16539 1/20 0.41
LIMK1 P53667 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ENPP1 P22413 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
GRM5 P41594 1/20 0.39
CRHR1 P34998 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 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
SCHEMBL19629705 0.88 L3MBTL1 (0.53) ALOX5RETFLT1KDRMAPK14
SCHEMBL901023 0.84 ENPP1 (0.41) ALOX5RETFLT1KDRMAPK14
SCHEMBL4846484 0.82 TNF (0.47) ALDH1A1ENPP1RAB9ANPC1HTT
SCHEMBL28073818 0.82 CYP2A6 (0.46) ALDH1A1RAB9ANPC1HTTSMN1; SMN2
SCHEMBL4846110 0.81 ENPP1 (0.44) ALDH1A1ENPP1NPC1
SCHEMBL26535837 0.81 PIM3 (0.35) ALOX5LIMK1ENPP1RAB9ANPC1
SCHEMBL28215029 0.80 APP (0.45) RETFLT1KDRMAPK14LIMK1
SCHEMBL20043278 0.79 HSD17B10 (0.41) ALOX5ALDH1A1RAB9ANPC1TLR8
SCHEMBL906903 0.79 SMN1; SMN2 (0.50) ALDH1A1RAB9ANPC1TLR8TLR7
SCHEMBL8092634 0.79 ALDH1A1 (0.51) RETFLT1KDRMAPK14LIMK1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103228643-B As the benzoxazole derivative of histamine h 4 receptor part BIOPROJET (FR) 2015-11-25 CN claimed
CN-103228643-A Benzazole derivatives as histamine H4 receptor ligands BIOPROJET SOC CIV 2013-07-31 CN claimed
EP-2491041-B1 BIVALENT DIAZO BICYCLIC SMAC MIMETICS AND THE USES THEREOF UNIV MICHIGAN REGENTS (US) 2017-08-09 EP disclosed
CN-106349184-A Preparation method of 2- (ortho-alkylaryl) benzothiazole series 江西师范大学 2017-01-25 CN disclosed
CN-103228643-B As the benzoxazole derivative of histamine h 4 receptor part BIOPROJET (FR) 2015-11-25 CN disclosed
US-9029357-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2015-05-12 US disclosed
CN-103304507-B Green method for preparing heterocyclic compounds from nitriles UNIV WENZHOU 2015-02-25 CN disclosed
US-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET SOC CIV (FR) 2015-01-01 US disclosed
US-8815927-B2 Bivalent diazo bicyclic Smac mimetics and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-08-26 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
CN-103228643-A Benzazole derivatives as histamine H4 receptor ligands BIOPROJET SOC CIV 2013-07-31 CN disclosed
US-20120263675-A1 BIVALENT DIAZO BICYCLIC SMAC THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-18 US disclosed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 WO disclosed
US-20090061141-A1 Monomethine dye compound, optical information recording medium utilizing the compound and process for producing the same TAIYO YUDEN CO., LTD. (JP) 2009-03-05 US disclosed
US-20090061141-A1 Monomethine dye compound, optical information recording medium utilizing the compound and process for producing the same TAIYO YUDEN CO., LTD. (JP) 2009-03-05 US 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 (4 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 ALOX5 3343/4885RET 529/4885FLT1 1972/4885
US-20090061141-A1 Monomethine dye compound, optical information recording medium utilizing the compound and process for producing the same KDM7A, CUTA, KMO ALOX5 1099/4885RET 3708/4885FLT1 2019/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 ALOX5 2210/4885RET 642/4885FLT1 1308/4885
US-20120263675-A1 BIVALENT DIAZO BICYCLIC SMAC BIRC2, BID, BIRC3 ALOX5 4450/4885RET 2988/4885FLT1 3806/4885

“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.