SCHEMBL4092971

SCHEMBL4092971

O=C(Nc1ccccc1C(=O)O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.71
MEN1 O00255 6/20 0.71
PKM P14618 1/20 0.71
ALDH1A1 P00352 4/20 0.70
MAPT P10636 4/20 0.70
SMN1; SMN2 Q16637 2/20 0.69
AKR1C4 P17516 1/20 0.69
AKR1C3 P42330 1/20 0.69
AKR1C2 P52895 1/20 0.69
AKR1C1 Q04828 1/20 0.69
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
PYGL P06737 2/20 0.67
PYGM P11217 2/20 0.67
KDM4E B2RXH2 1/20 0.65
RXFP1 Q9HBX9 1/20 0.64
TDP1 Q9NUW8 1/20 0.62
ABCG2 Q9UNQ0 1/20 0.62
LMNA P02545 1/20 0.60

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
SCHEMBL7116140 0.88 PYGL (0.66) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL882472 0.88 RAB9A (0.67) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2273640 0.86 HDAC2 (0.67) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4094329 0.86 KMT2A (0.66) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2024935 0.85 MEN1 (0.71) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL6352508 0.85 AKR1C2 (0.70) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1309081 0.85 SMN1; SMN2 (0.70) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL17109793 0.84 ALDH1A1 (0.88) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7126045 0.84 PYGL (0.73) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL30249770 0.84 PYGL (0.73) KMT2AMEN1ALDH1A1MAPTSMN1; 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 9 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
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
US-RE32087-E 4H-3,1-Benzoxazine derivatives BASF AKTIENGESELLSCHAFT (DE) 1986-02-25 US disclosed
EP-0084893-A2 4H-3,1-Benzoxazin derivatives, methods for their preparation, and their use for combatting undesirable vegetation BASF Aktiengesellschaft (DE) 1983-08-03 EP disclosed
US-4315766-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
EP-0017931-A2 4H-3,1-Benzoxazine derivatives, methods of their preparation and their use in combating undesirable vegetation BASF Aktiengesellschaft (DE) 1980-10-29 EP 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 2859/4885PKM 4396/4885

“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.