SCHEMBL2995350

SCHEMBL2995350

O=[N+]([O-])c1cc(CI)cc2cc(-c3ccccc3)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
FBP1 P09467 3/20 0.43
APEX1 P27695 1/20 0.40
DHODH Q02127 1/20 0.40
NPC1 O15118 3/20 0.39
KMT2A Q03164 2/20 0.39
PPARG P37231 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
PLCG2 P16885 1/20 0.39
XDH P47989 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPY5R Q15761 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL22806895 0.87 CYP19A1 (0.46) CYP19A1FBP1APEX1DHODHNPC1
SCHEMBL3008832 0.87 CYP19A1 (0.46) CYP19A1FBP1APEX1DHODHNPC1
SCHEMBL3009578 0.85 PPARG (0.55) CYP19A1FBP1APEX1DHODHNPC1
SCHEMBL30224953 0.85 CYP19A1 (0.44) CYP19A1FBP1APEX1DHODHNPC1
SCHEMBL31022445 0.84 CYP19A1 (0.43) CYP19A1FBP1APEX1DHODHNPC1
SCHEMBL29205700 0.82 CYP19A1 (0.41) CYP19A1FBP1APEX1DHODHNPC1
SCHEMBL29205659 0.82 CYP19A1 (0.41) CYP19A1FBP1NPC1KMT2APPARG
SCHEMBL30183195 0.82 CYP19A1 (0.41) CYP19A1FBP1APEX1DHODHNPC1
SCHEMBL31022480 0.81 CYP19A1 (0.41) CYP19A1FBP1APEX1DHODHNPC1
SCHEMBL27237628 0.81 FBP1 (0.41) CYP19A1FBP1APEX1DHODHNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3971185-B1 METHOD FOR PREPARING INDOLE OR INDAZOLE COMPOUND LG CHEMICAL LTD (KR) 2024-04-17 EP disclosed
CN-114096534-B Process for preparing indole or indazole compounds 株式会社LG化学 2024-01-02 CN disclosed
EP-3971185-A1 METHOD FOR PREPARING INDOLE OR INDAZOLE COMPOUND LG Chem, Ltd. (KR) 2022-03-23 EP disclosed
CN-114096534-A Process for preparing indole or indazole compounds 株式会社LG化学 2022-02-25 CN disclosed
WO-2020256432-A1 METHOD FOR PREPARING INDOLE OR INDAZOLE COMPOUND 주식회사 엘지화학 2020-12-24 WO disclosed
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
CN-101784543-B Indole and indazole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2013-10-16 CN 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
CN-101784543-A Indole and indazole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2010-07-21 CN 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 CYP19A1 2038/4885FBP1 1304/4885APEX1 1552/4885
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 CYP19A1 2038/4885FBP1 1304/4885APEX1 1552/4885

“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.