SCHEMBL1996328

SCHEMBL1996328

O=C(O)COc1ccc(Br)cc1-c1nc(Cc2ccccc2)no1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.56
CHUK O15111 1/20 0.50
TXNRD1 Q16881 1/20 0.50
NOX4 Q9NPH5 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NMT1 P30419 5/20 0.46
LMNA P02545 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HTT P42858 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44

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
SCHEMBL1995885 0.91 PTGDR2 (0.47) PTGDR2CHUKTXNRD1NOX4SMN1; SMN2
SCHEMBL2463039 0.91 PTGDR2 (0.47) PTGDR2SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL1993270 0.91 ALDH1A1 (0.51) PTGDR2NPC1RAB9AMAPK1TDP1
SCHEMBL2462495 0.90 PTGDR2 (0.47) PTGDR2CHUKTXNRD1NOX4SMN1; SMN2
SCHEMBL2464504 0.89 MAPT (0.50) PTGDR2SMN1; SMN2MAPK1L3MBTL1NMT1
SCHEMBL2466354 0.89 PTGDR2 (0.47) PTGDR2CHUKTXNRD1NOX4SMN1; SMN2
SCHEMBL2466984 0.88 NMT1 (0.57) PTGDR2SMN1; SMN2NMT1LMNAHTT
SCHEMBL12159906 0.88 SMN1; SMN2 (0.47) PTGDR2CHUKTXNRD1NOX4SMN1; SMN2
SCHEMBL13996203 0.88 CHUK (0.51) CHUKTXNRD1NOX4SMN1; SMN2NPC1
SCHEMBL2462176 0.87 LMNA (0.59) PTGDR2SMN1; SMN2NPC1RAB9AL3MBTL1

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 10 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
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

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 70/4885CHUK 1825/4885TXNRD1 326/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 PTGDR2 61/4885CHUK 1595/4885TXNRD1 387/4885

“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.