SCHEMBL1997376

SCHEMBL1997376

O=C(O)COc1ccc(Br)cc1-c1nc(-c2ccccn2)no1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.55
GRM5 P41594 6/20 0.53
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
NPC1 O15118 7/20 0.50
PKM P14618 6/20 0.50
TP53 P04637 6/20 0.50
MAPT P10636 5/20 0.50
S1PR1 P21453 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 4/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 2/20 0.49
TSHR P16473 5/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
KLF5 Q13887 2/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL1997514 0.87 PTGDR2 (0.67) PTGDR2RAB9ASMN1; SMN2NPC1TP53
SCHEMBL2002169 0.83 PTGDR2 (0.68) PTGDR2RAB9ASMN1; SMN2NPC1TP53
SCHEMBL1993359 0.83 PTGDR2 (0.55) PTGDR2RAB9ASMN1; SMN2NPC1TP53
SCHEMBL1995943 0.82 NPC1 (0.63) PTGDR2RAB9ASMN1; SMN2NPC1TP53
SCHEMBL4197833 0.82 NPC1 (0.73) GRM5RAB9ASMN1; SMN2NPC1PKM
SCHEMBL1992646 0.82 PTGDR2 (0.53) PTGDR2RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL1996239 0.81 PTGDR2 (0.56) PTGDR2RAB9ASMN1; SMN2NPC1TP53
SCHEMBL1993837 0.81 PTGDR2 (0.55) PTGDR2GRM5RAB9ASMN1; SMN2NPC1
SCHEMBL1995007 0.80 PTGDR2 (0.53) PTGDR2RAB9ASMN1; SMN2NPC1PKM
SCHEMBL1996328 0.80 PTGDR2 (0.56) PTGDR2RAB9ASMN1; SMN2NPC1LMNA

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-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
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
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 PTGDR2 70/4885GRM5 440/4885RAB9A 2702/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 PTGDR2 61/4885GRM5 427/4885RAB9A 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.