SCHEMBL1995885

SCHEMBL1995885

O=C(O)COc1ccc(Br)cc1-c1nc(Cc2ccc(F)cc2)no1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.47
NMT1 P30419 2/20 0.46
PKM P14618 1/20 0.44
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
PTGER1 P34995 6/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP2C9 P11712 1/20 0.40
CHUK O15111 1/20 0.40
TXNRD1 Q16881 1/20 0.40
NOX4 Q9NPH5 1/20 0.40

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
SCHEMBL2466354 0.92 PTGDR2 (0.47) PTGDR2NMT1PKMPRMT5WDR77
SCHEMBL1996328 0.91 PTGDR2 (0.56) PTGDR2NMT1PRMT5WDR77LMNA
SCHEMBL1993270 0.90 ALDH1A1 (0.51) PTGDR2NMT1PRMT5WDR77
SCHEMBL2463039 0.90 PTGDR2 (0.47) PTGDR2NMT1PRMT5WDR77PTGER1
SCHEMBL2464504 0.88 MAPT (0.50) PTGDR2NMT1PTGER1LMNASMN1; SMN2
SCHEMBL2465347 0.88 PPARD (0.43) PTGDR2NMT1PRMT5WDR77PTGER1
SCHEMBL2467718 0.86 PTGDR2 (0.46) PTGDR2NMT1PRMT5WDR77PTGER1
SCHEMBL2462176 0.86 LMNA (0.59) PTGDR2NMT1PRMT5WDR77LMNA
SCHEMBL2465896 0.85 HTR1A (0.46) PTGDR2PRMT5WDR77PTGER1LMNA
SCHEMBL1995007 0.84 PTGDR2 (0.53) PTGDR2PKMPRMT5WDR77SMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US claimed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US claimed
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
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 70/4885NMT1 2818/4885PKM 4526/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 PTGDR2 61/4885NMT1 2468/4885PKM 4616/4885

“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.