SCHEMBL3462263

SCHEMBL3462263

COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.81
MEN1 O00255 5/20 0.81
LMNA P02545 4/20 0.81
MAPK1 P28482 3/20 0.81
POLB P06746 2/20 0.81
RAF1 P04049 1/20 0.69
CXCR1 P25024 2/20 0.68
CXCR2 P25025 2/20 0.68
HTT P42858 2/20 0.67
PKM P14618 1/20 0.67
MAPT P10636 5/20 0.65
RAB9A P51151 1/20 0.65
ALDH1A1 P00352 4/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
RECQL P46063 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64

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
SCHEMBL3459824 0.90 KMT2A (1.00) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL12305621 0.87 TRPV1 (0.73) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL7410122 0.86 HTT (0.66) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL12305610 0.85 LMNA (0.72) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL29776993 0.85 LMNA (0.72) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL12305612 0.84 MAPT (0.70) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL5594951 0.84 HTT (0.71) KMT2AMEN1LMNAMAPK1RAF1
SCHEMBL18013182 0.84 TRPV1 (0.72) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL16592442 0.84 PKM (0.78) KMT2ALMNAHTTPKMMAPT
SCHEMBL16592441 0.84 PKM (0.78) KMT2ALMNAHTTPKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 WO disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 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-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES ITGA1, ITGB1, ITGA2B KMT2A 2144/4885MEN1 4730/4885LMNA 2594/4885

“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.