SCHEMBL1993748

SCHEMBL1993748

NNc1ccccc1Cl.O=Cc1coc2ccc([N+](=O)[O-])cc2c1=O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 11/20 0.69
▸ PTPN2 P17706 2/20 0.46
▸ MAOB P27338 3/20 0.44
▸ MAOA P21397 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ C1R P00736 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.37

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
SCHEMBL29954392 0.83 PTPN1 (1.00) PTPN1PTPN2MAOBMAOAALDH1A1
SCHEMBL1997539 0.83 PTPN1 (1.00) PTPN1PTPN2MAOBMAOAALDH1A1
SCHEMBL1993747 0.79 MAOB (0.48) PTPN1MAOBMAOAC1RMEN1
SCHEMBL4010077 0.74 PTPN1 (0.81) PTPN1PTPN2MAOBMAOAALDH1A1
SCHEMBL29951939 0.73 PTPN1 (0.79) PTPN1PTPN2MAOBMAOAALDH1A1
SCHEMBL13978670 0.71 PTPN1 (0.74) PTPN1PTPN2MAOBMAOAALDH1A1
SCHEMBL5363245 0.68 PTPN1 (1.00) PTPN1PTPN2MAOBMAOAALDH1A1
SCHEMBL7025708 0.68 PTPN1 (0.86) PTPN1PTPN2MAOBMAOAALDH1A1
SCHEMBL9122336 0.66 HSD17B10 (0.60) ALDH1A1MEN1MAPTKMT2ARAB9A
SCHEMBL3273626 0.66 HSD17B10 (0.60) MAOAALDH1A1MEN1MAPTKMT2A

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 6 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
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 PTPN1 3937/4885PTPN2 3736/4885MAOB 3538/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 PTPN1 3876/4885PTPN2 3983/4885MAOB 3740/4885

“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.

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