SCHEMBL1734811

SCHEMBL1734811

BrCc1ccc2[nH]c3ccccc3c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.57
ALDH1A1 P00352 6/20 0.54
HSD17B10 Q99714 3/20 0.54
GPR3 P46089 1/20 0.54
KIF11 P52732 6/20 0.53
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.49
GABRP O00591 3/20 0.43
GABRD O14764 3/20 0.43
GABRA1 P14867 3/20 0.43
GABRB1 P18505 3/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
GABRA5 P31644 3/20 0.43
GABRA3 P34903 3/20 0.43
GABRA2 P47869 3/20 0.43
GABRB2 P47870 3/20 0.43

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
SCHEMBL19768708 0.82 AHR (0.59) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL28203559 0.82 AHR (0.50) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL22089502 0.81 AHR (0.57) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL27835129 0.81 AHR (0.57) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL4812375 0.81 KIF11 (0.79) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL5810239 0.81 AHR (0.57) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL30196772 0.81 AHR (0.57) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL262834 0.80 KIF11 (0.53) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL31235689 0.80 AHR (0.52) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL17274741 0.79 AHR (0.55) AHRALDH1A1HSD17B10GPR3KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598312-B2 Inhibitors of antigen presentation by MHC class II molecules PROVID PHARMACEUTICALS, INC. (US) 2013-12-03 US disclosed
US-20120252734-A1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES OLSON GARY LEE (US) 2012-10-04 US disclosed
US-8222215-B2 Methods for the use of inhibitors of antigen presentation by MHC class II molecules PROVID PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
EP-1605963-B1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES AND METHODS OF USE THEREOF PROVID PHARMACEUTICALS INC (US) 2011-11-16 EP disclosed
US-20110217324-A1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES AND METHODS OF USE THEREOF PROVID PHARMACEUTICALS, INC. 2011-09-08 US disclosed
EP-2229399-A1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES AND METHODS OF USE THEREOF Provid Pharmaceuticals, Inc. (US) 2010-09-22 EP disclosed
WO-2009073168-A1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES AND METHODS OF USE THEREOF PROVID PHARMACEUTICALS, INC. (US) 2009-06-11 WO disclosed
US-20090111755-A1 METHODS FOR THE USE OF INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES PROVID PHARMACEUTICALS, INC. 2009-04-30 US disclosed
US-7439231-B2 Inhibitors of antigen presentation by MHC class II molecules and methods of use thereof PROVID PHARMACEUTICALS, INC. (US) 2008-10-21 US disclosed
EP-1605963-A4 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES AND METHODS OF USE THEREOF PROVID PHARMACEUTICALS INC (US) 2007-02-14 EP disclosed
EP-1605963-A2 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES AND METHODS OF USE THEREOF Provid Pharmaceuticals, Inc. (US) 2005-12-21 EP disclosed
WO-2004073625-A2 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES AND METHODS OF USE THEREOF PROVID PHARMACEUTICALS, INC. (US) 2004-09-02 WO disclosed
US-20040162242-A1 Inhibitors of antigen presentation by MHC class II molecules and methods of use thereof NJEDA 2004-08-19 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-20040162242-A1 Inhibitors of antigen presentation by MHC class II molecules and methods of use thereof HLA-DRB1, CD74, MICA AHR 1886/4885ALDH1A1 2097/4885HSD17B10 2555/4885
US-20110217324-A1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES AND METHODS OF USE THEREOF HLA-DRB1, CD74, MICA AHR 2408/4885ALDH1A1 2379/4885HSD17B10 2818/4885
US-20090111755-A1 METHODS FOR THE USE OF INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES HLA-DRB1, CD74, MICA AHR 2770/4885ALDH1A1 1863/4885HSD17B10 2314/4885
US-20120252734-A1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES HLA-DRB1, CD74, MICA AHR 1716/4885ALDH1A1 2074/4885HSD17B10 2550/4885

“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.