SCHEMBL3460053

SCHEMBL3460053

Cc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 3/20 0.68
RAB9A P51151 8/20 0.61
MAPT P10636 8/20 0.61
MEN1 O00255 8/20 0.61
KMT2A Q03164 8/20 0.61
NPC1 O15118 6/20 0.61
LMNA P02545 6/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MAPK1 P28482 2/20 0.61
ALDH1A1 P00352 2/20 0.56
HTT P42858 5/20 0.52
GAA P10253 2/20 0.52
IMPDH2 P12268 1/20 0.52
CXCR1 P25024 1/20 0.51
CXCR2 P25025 1/20 0.51
OPRK1 P41145 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL4354193 0.87 DDX3X (0.65) DDX3XRAB9AMAPTMEN1KMT2A
SCHEMBL28433481 0.83 DDX3X (0.62) DDX3XMAPTMEN1KMT2ANPC1
SCHEMBL17978616 0.82 DDX3X (0.73) DDX3XRAB9AMAPTMEN1KMT2A
SCHEMBL22995755 0.81 ALDH1A1 (0.71) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL11898961 0.81 DDX3X (1.00) DDX3XRAB9AMAPTMEN1KMT2A
SCHEMBL7374504 0.80 MEN1 (0.67) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL18921099 0.79 RAB9A (0.63) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL3164500 0.78 ALDH1A1 (0.66) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL11918074 0.78 DDX3X (1.00) DDX3XRAB9AMAPTMEN1KMT2A
SCHEMBL1659299 0.78 DDX3X (1.00) DDX3XRAB9AMAPTMEN1KMT2A

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 DDX3X 3725/4885RAB9A 2294/4885MAPT 2831/4885

“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.