SCHEMBL17800249

SCHEMBL17800249

Cn1c(C(=O)Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.46
THRB P10828 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 4/20 0.40
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
NT5E P21589 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
CD40 P25942 2/20 0.38
CD40LG P29965 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PPARG P37231 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
SCHEMBL16402281 0.94 ENPP2 (0.42) ENPP2THRBRXFP1MAPTEGFR
SCHEMBL16402301 0.87 ENPP2 (0.52) ENPP2THRBRXFP1MAPTNT5E
SCHEMBL16397550 0.85 ENPP2 (0.49) ENPP2THRBRXFP1MAPTNT5E
SCHEMBL17800246 0.82 THRB (0.48) ENPP2THRBRXFP1MAPTNT5E
SCHEMBL17800247 0.81 ENPP2 (0.46) ENPP2THRBRXFP1MAPTNT5E
SCHEMBL17816533 0.81 ENPP2 (0.46) ENPP2THRBRXFP1MAPTNT5E
SCHEMBL16402264 0.79 ENPP2 (0.44) ENPP2THRBRXFP1MAPTNT5E
SCHEMBL16402228 0.78 ENPP2 (0.46) ENPP2THRBRXFP1MAPTNT5E
SCHEMBL11765604 0.77 KMT2A (0.65) ENPP2MAPTKMT2AMEN1NPC1
SCHEMBL17800245 0.76 THRB (0.43) ENPP2THRBRXFP1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159778-A1 NOVEL UREIDO DERIVATIVES OF NAPHTHALENESULFONIC ACIDS NEED PHARMACEUTICALS S.R.L. (IT) 2016-06-09 US 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-20160159778-A1 NOVEL UREIDO DERIVATIVES OF NAPHTHALENESULFONIC ACIDS UMPS, UTS2R, UROD ENPP2 991/4885THRB 4576/4885RXFP1 3361/4885

“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.