SCHEMBL3007965

SCHEMBL3007965

O=C(O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 7/20 0.52
APEX1 P27695 1/20 0.47
ALDH1A1 P00352 1/20 0.40
PIN1 Q13526 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EIF4E P06730 1/20 0.40
CASP6 P55212 1/20 0.40
ERN1 O75460 1/20 0.39
DHODH Q02127 1/20 0.39
XDH P47989 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 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
SCHEMBL30848972 1.00 FBP1 (0.52) FBP1APEX1ALDH1A1PIN1MEN1
SCHEMBL3009122 0.88 APEX1 (0.50) FBP1APEX1MEN1KMT2ACASP6
SCHEMBL30849028 0.87 XDH (0.45) FBP1ALDH1A1MEN1KMT2AERN1
SCHEMBL30848961 0.87 XDH (0.45) FBP1ALDH1A1MEN1KMT2AERN1
SCHEMBL30224780 0.83 XDH (0.40) FBP1APEX1ALDH1A1MEN1KMT2A
SCHEMBL30224753 0.81 FBP1 (0.44) FBP1APEX1ALDH1A1MEN1KMT2A
SCHEMBL30848955 0.80 APEX1 (0.44) FBP1APEX1ALDH1A1EIF4ECASP6
SCHEMBL3000396 0.79 RXRA (0.47) FBP1APEX1CASP6ERN1
SCHEMBL30224916 0.79 FBP1 (0.42) FBP1APEX1ALDH1A1MEN1KMT2A
SCHEMBL3004133 0.79 CYP19A1 (0.50) FBP1APEX1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178870-B1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEMICAL LTD (KR) 2018-09-19 EP disclosed
US-9000028-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2015-04-07 US disclosed
US-20130237532-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2013-09-12 US disclosed
US-8436038-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-05-07 US disclosed
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2010-08-05 US disclosed
EP-2178870-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025478-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 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-20130237532-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 FBP1 1304/4885APEX1 1552/4885ALDH1A1 1971/4885
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 FBP1 1304/4885APEX1 1552/4885ALDH1A1 1971/4885

“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.