SCHEMBL4375480

SCHEMBL4375480

O=[N+]([O-])c1cc[n+]([O-])cc1Oc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.49
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MERTK Q12866 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TTR P02766 1/20 0.40
ALB P02768 1/20 0.40
THRB P10828 1/20 0.40
TBXA2R P21731 1/20 0.39
HSPB1 P04792 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 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
SCHEMBL4383031 0.87 EPAS1 (0.44) PDE7AMEN1KMT2AHPGDMAPT
SCHEMBL4376514 0.85 LMNA (0.42) PDE7AMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL9853789 0.85 MERTK (0.48) MEN1KMT2AHPGDSMN1; SMN2LMNA
SCHEMBL7055435 0.85 ALDH1A1 (0.45) PDE7AMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4377981 0.85 MEN1 (0.48) MEN1KMT2AHPGDSMN1; SMN2LMNA
SCHEMBL4381239 0.83 MEN1 (0.51) PDE7AMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL9853822 0.82 MAPT (0.46) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL9853579 0.79 PIN1 (0.47) MEN1KMT2AHPGDSMN1; SMN2LMNA
SCHEMBL11547238 0.78 HPGD (0.68) MEN1KMT2AHPGDSMN1; SMN2LMNA
SCHEMBL9853587 0.77 ALDH1A1 (0.37) PDE7AMEN1KMT2AHPGDSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432684-B1 PYRIDINIC SULFONAMIDE DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF UNIV LIEGE (BE) 2009-03-25 EP disclosed
US-20070173534-A1 Pyridinic sulfonamide derivatives method of production and use thereof UNIVERSITE DE LIEGE 2007-07-26 US disclosed
US-7226936-B2 Pyridinic sulfonamide derivatives method of production and use thereof UNIVERSITY DE LIEGE (BE) 2007-06-05 US disclosed
US-20050020642-A1 Pyridinic sulfonamide derivatives method of production and use thereof UNIVERSITE DE LIEGE (BE) 2005-01-27 US disclosed
EP-1432684-A2 PYRIDINIC SULFONAMIDE DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF University of Liege (BE) 2004-06-30 EP disclosed
WO-2003029217-A2 PYRIDINIC SULFONAMIDE DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF UNIVERSITE DE LIEGE (BE) 2003-04-10 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-20070173534-A1 Pyridinic sulfonamide derivatives method of production and use thereof PTGIS, ARSA, C3AR1 PDE7A 1809/4885MEN1 1648/4885KMT2A 2899/4885
US-20050020642-A1 Pyridinic sulfonamide derivatives method of production and use thereof ARSA, PTGIS, C3AR1 PDE7A 2413/4885MEN1 1884/4885KMT2A 2779/4885

“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.