SCHEMBL2021856

SCHEMBL2021856

c1ccc(Nc2ccccc2OCc2nnn[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.36
MAPT P10636 5/20 0.34
GAA P10253 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
MAPK10 P53779 2/20 0.33
HTT P42858 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL12017402 0.83 APP (0.49) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL12017474 0.74 APP (0.37) MAPTMEN1KMT2ACYP1A2APP
SCHEMBL1243217 0.74 RAB9A (0.47) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL12987122 0.72 HTT (0.35) MAPTSMN1; SMN2HTTTP53HPGD
SCHEMBL12017485 0.72 MCL1 (0.52) GAAALDH1A1HTTTSHR
SCHEMBL12987482 0.70 MEN1 (0.35) MAPTMEN1KMT2AALDH1A1MAPK14
SCHEMBL3338194 0.69 APP (0.40) MAPTGAAMEN1KMT2ARECQL
SCHEMBL8970984 0.69 MAPK10 (0.55) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL10544006 0.68 CYSLTR1 (0.51)
SCHEMBL19283174 0.67 TAAR1 (0.50) MAPTMEN1KMT2AALDH1A1SMN1; 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 11 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-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
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US disclosed
US-20080312220-A1 Oxadiazole Derivatives with Crth2 Receptor Activity 7TM PHARMA A/S (DK) 2008-12-18 US disclosed
EP-1960376-A1 OXADIAZOLE DERIVATIVES WITH CRTH2 RECEPTOR ACTIVITY 7TM Pharma A/S (DK) 2008-08-27 EP disclosed
WO-2007062677-A1 THIAZOLYL- AND PYRIMIDINYL-ACETIC ACIDS AND THEIR USE AS CRTH2 RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2007-06-07 WO disclosed
WO-2007062678-A1 PHENOXYACETIC ACID DERIVATIVES AS CRTH2 RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2007-06-07 WO disclosed
WO-2007062773-A1 OXADIAZOLE DERIVATIVES WITH CRTH2 RECEPTOR ACTIVITY 7TM PHARMA A/S (DK) 2007-06-07 WO 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 (3 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-20080312220-A1 Oxadiazole Derivatives with Crth2 Receptor Activity HRH2, HRH1, HRH3 AURKA 3722/4885MAPT 4758/4885GAA 4659/4885
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses HRH1, HRH2, HRH3 AURKA 4533/4885MAPT 4672/4885GAA 4427/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 AURKA 4336/4885MAPT 4755/4885GAA 4385/4885

“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.