SCHEMBL3416259

SCHEMBL3416259

Cc1cc([N+](=O)[O-])c2[nH]c(C(O)=S)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 5/20 0.49
APEX1 P27695 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
XDH P47989 3/20 0.45
GPR35 Q9HC97 1/20 0.45
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
RAB9A P51151 2/20 0.43
HRH4 Q9H3N8 2/20 0.43
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL3031133 0.87 GRIN2D (0.46) FBP1APEX1GRIN2DGRIN3BGRIN1
SCHEMBL2768879 0.87 FBP1 (0.64) FBP1APEX1GRIN2DGRIN3BGRIN1
SCHEMBL3416258 0.82 FBP1 (0.49) FBP1APEX1GRIN2DGRIN3BGRIN1
SCHEMBL1278010 0.80 XDH (0.65) FBP1APEX1GRIN2DGRIN3BGRIN1
SCHEMBL3421501 0.79 MAPT (0.52) FBP1APEX1GRIN2DGRIN3BGRIN1
SCHEMBL1277858 0.78 RAB9A (0.52) FBP1APEX1GRIN2DGRIN3BGRIN1
SCHEMBL3010855 0.72 CYP19A1 (0.49) FBP1APEX1GRIN2DGRIN3BGRIN1
SCHEMBL18825093 0.71 GRIN2D (0.47) FBP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27787926 0.71 GRIN2D (0.47) FBP1APEX1GRIN2DGRIN3BGRIN1
SCHEMBL1424012 0.70 APEX1 (0.64) FBP1APEX1XDHNPC1MAPT

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
EP-2230238-B1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD (KR) 2013-12-11 EP disclosed
US-8349885-B2 Indole and indazole derivatives having a cell-, tissue- and organ-preserving effect LG LIFE SCIENCES LTD. (KR) 2013-01-08 US disclosed
US-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG CHEM, LTD. (KR) 2012-10-25 US disclosed
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD. (KR) 2010-11-18 US disclosed
EP-2230238-A2 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG Life Sciences Ltd. (KR) 2010-09-22 EP 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-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT FBP1 2380/4885APEX1 1705/4885GRIN2D 3694/4885
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT FBP1 2380/4885APEX1 1705/4885GRIN2D 3694/4885

“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.