SCHEMBL1996282

SCHEMBL1996282

COc1ccc(-n2cc(C(=O)c3cc(Br)ccc3O)cn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
RAB9A P51151 6/20 0.72
GAA P10253 1/20 0.72
MAPT P10636 8/20 0.71
NPC1 O15118 5/20 0.71
ALDH1A1 P00352 3/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
KDM4E B2RXH2 2/20 0.71
PTGDR2 Q9Y5Y4 6/20 0.70
HTT P42858 3/20 0.57
HPGD P15428 3/20 0.57
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
MAPKAPK2 P49137 1/20 0.49

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
SCHEMBL1993758 0.84 RAB9A (0.73) MEN1KMT2ARAB9AGAAMAPT
SCHEMBL1998302 0.82 PTGDR2 (1.00) MEN1KMT2ARAB9AGAAMAPT
SCHEMBL24149128 0.80 MAPT (0.65) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL1995551 0.79 PTGDR2 (0.81) MEN1KMT2ARAB9AGAAMAPT
SCHEMBL5552117 0.79 PTGDR2 (0.71) MEN1KMT2ARAB9AGAAMAPT
SCHEMBL2854624 0.75 EGLN1 (0.67) MEN1KMT2ARAB9AGAAMAPT
SCHEMBL1992171 0.74 MAPT (0.71) MEN1KMT2ARAB9AGAAMAPT
SCHEMBL27665805 0.73 AURKA (0.48) MEN1KMT2ARAB9AGAAMAPT
SCHEMBL1994898 0.72 MAPT (1.00) MEN1KMT2ARAB9AGAAMAPT
SCHEMBL14495403 0.72 PTGDR2 (0.49) MEN1KMT2ARAB9AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US disclosed
EP-2336113-A1 CRTH2 Receptor Ligands for Medical Use 7TM Pharma A/S (DK) 2011-06-22 EP disclosed
CN-1980664-B CRTH2 receptor ligands for therapeutic use 7TM PHARMA AS 2011-02-23 CN disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US disclosed
CN-1980664-A CRTH2 receptor ligands for therapeutic use 7TM PHARMA AS (DK) 2007-06-13 CN disclosed
EP-1758579-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM Pharma A/S (DK) 2007-03-07 EP disclosed
WO-2005115382-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM PHARMA A/S (DK) 2005-12-08 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-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses HRH1, HRH2, HRH3 MEN1 2764/4885KMT2A 3667/4885RAB9A 2702/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 MEN1 2820/4885KMT2A 2771/4885RAB9A 2089/4885

“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.