SCHEMBL4381239

SCHEMBL4381239

O=[N+]([O-])c1cc[n+]([O-])cc1Oc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
EPAS1 Q99814 2/20 0.47
TBXA2R P21731 2/20 0.43
PDE7A Q13946 1/20 0.42
CHEK2 O96017 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
TTR P02766 1/20 0.39
ALB P02768 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.38
TERT O14746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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 0.88 EPAS1 (0.44) MEN1KMT2AMAPTEPAS1PDE7A
SCHEMBL4375480 0.83 PDE7A (0.49) MEN1KMT2AMAPTTBXA2RPDE7A
SCHEMBL4377981 0.83 MEN1 (0.48) MEN1KMT2AMAPTTBXA2RALDH1A1
SCHEMBL14744331 0.80 MEN1 (0.61) MEN1KMT2AMAPTEPAS1TBXA2R
SCHEMBL9853579 0.80 PIN1 (0.47) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL11547238 0.77 HPGD (0.68) MEN1KMT2AMAPTTBXA2RALDH1A1
SCHEMBL9853587 0.75 ALDH1A1 (0.37) MEN1KMT2AMAPTTBXA2RPDE7A
SCHEMBL9853789 0.75 MERTK (0.48) MEN1KMT2AMAPTTBXA2RALDH1A1
SCHEMBL4376514 0.75 LMNA (0.42) MEN1KMT2AMAPTTBXA2RPDE7A
SCHEMBL7055435 0.75 ALDH1A1 (0.45) MEN1KMT2AMAPTTBXA2RPDE7A

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 MEN1 1648/4885KMT2A 2899/4885MAPT 4060/4885
US-20050020642-A1 Pyridinic sulfonamide derivatives method of production and use thereof ARSA, PTGIS, C3AR1 MEN1 1884/4885KMT2A 2779/4885MAPT 4341/4885

“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.