SCHEMBL4094329

SCHEMBL4094329

COC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
MEN1 O00255 4/20 0.66
RAB9A P51151 4/20 0.65
NPC1 O15118 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.63
ALDH1A1 P00352 3/20 0.62
MAPT P10636 3/20 0.62
ABCG2 Q9UNQ0 1/20 0.62
RXFP1 Q9HBX9 1/20 0.60
TDP1 Q9NUW8 1/20 0.59
KDM4E B2RXH2 1/20 0.57
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL5834186 0.90 KMT2A (0.63) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL7122268 0.89 KMT2A (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL7126565 0.86 MAPT (0.67) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL4092971 0.86 KMT2A (0.71) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6709802 0.86 TSHR (0.67) KMT2AMEN1NPC1SMN1; SMN2ALDH1A1
SCHEMBL259597 0.85 SMN1; SMN2 (0.73) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL882472 0.85 RAB9A (0.67) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6431792 0.83 PYGL (0.78) KMT2AMEN1MAPT
SCHEMBL7116503 0.83 MAPT (0.66) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7118343 0.82 ABCG2 (0.54) KMT2AMEN1RAB9ANPC1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
EP-1758571-A1 CRTH2 RECEPTOR LIGANDS FOR THERAPEUTIC USE 7TM Pharma A/S (DK) 2007-03-07 EP disclosed
WO-2005115374-A1 CRTH2 RECEPTOR LIGANDS FOR THERAPEUTIC USE 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 (1 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-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use NR1H2, NR1H3, HRH2 KMT2A 2570/4885MEN1 2859/4885RAB9A 3947/4885

“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.