SCHEMBL3000396

SCHEMBL3000396

O=C(O)c1cccc(-c2cc3cc(Cl)cc([N+](=O)[O-])c3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
ERN1 O75460 1/20 0.46
APEX1 P27695 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
FBP1 P09467 4/20 0.43
TP53 P04637 1/20 0.42
CD74 P04233 1/20 0.40
MIF P14174 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CASP6 P55212 1/20 0.40
PLCG2 P16885 1/20 0.39

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
SCHEMBL3730183 0.87 ERN1 (0.43) RXRARXRBERN1HRH4FBP1
SCHEMBL2999852 0.85 CYP19A1 (0.49) APEX1HRH4FBP1
SCHEMBL3009122 0.80 APEX1 (0.50) APEX1FBP1CASP3SENP8SENP7
SCHEMBL3007965 0.79 FBP1 (0.52) ERN1APEX1FBP1CASP6
SCHEMBL30848972 0.79 FBP1 (0.52) ERN1APEX1FBP1CASP6
SCHEMBL1277932 0.74 APEX1 (0.62) APEX1HRH4FBP1PLCG2
SCHEMBL29386074 0.74 ERN1 (0.57) RXRARXRBERN1TP53CASP6
SCHEMBL2404465 0.74 ERN1 (0.57) RXRARXRBERN1TP53CASP6
SCHEMBL3708345 0.73 CYP19A1 (0.45) ERN1APEX1FBP1CASP3SENP8
SCHEMBL3003645 0.73 HCAR3 (0.43) RXRARXRBCASP3SENP8SENP7

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-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

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 RXRA 4035/4885RXRB 3889/4885ERN1 1384/4885
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 RXRA 4035/4885RXRB 3889/4885ERN1 1384/4885

“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.