SCHEMBL5624092

SCHEMBL5624092

CC(=O)N1C(=O)Cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
KDM4E B2RXH2 1/20 0.58
GAA P10253 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NOTUM Q6P988 1/20 0.55
SNCA P37840 3/20 0.50
SIRT2 Q8IXJ6 1/20 0.46
LMNA P02545 4/20 0.45
PDE5A O76074 1/20 0.43
CASP6 P55212 2/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CASP1 P29466 1/20 0.41
CASP3 P42574 1/20 0.41
CASP4 P49662 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41

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
SCHEMBL9835012 0.86 KMT2A (0.52) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL10173104 0.83 KMT2A (0.47) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL16830137 0.82 ALDH1A1 (0.47) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL1231915 0.79 GAA (0.57) GAAMEN1KMT2ASNCASIRT2
SCHEMBL30663251 0.79 GAA (0.57) GAAMEN1KMT2ASNCASIRT2
SCHEMBL9835222 0.78 KMT2A (0.51) MAPTGAAMEN1KMT2ALMNA
SCHEMBL6690377 0.77 PDE5A (0.67) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL2616873 0.76 DPP7 (0.44) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL2259375 0.76 NOTUM (0.61) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL9045039 0.76 NOTUM (0.61) MAPTMEN1KMT2ANOTUMPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111285872-B Indole-2-ketone derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2022-05-17 CN disclosed
CN-111285872-A Indole-2-ketone derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2020-06-16 CN disclosed
US-7166615-B2 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 US disclosed
US-7160901-B2 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-09 US disclosed
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
US-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 US disclosed
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 US disclosed
US-6638965-B2 Antitumor agents BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-10-28 US disclosed
EP-1341760-A1 SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-09-10 EP disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP disclosed
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-10 US disclosed
WO-2002036564-A1 SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-05-10 WO disclosed
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 EP disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 WO disclosed
US-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 US disclosed
WO-1999051590-A1 SUBSTITUTED INDOLINONES AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-14 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 (4 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-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 MAPT 2030/4885KDM4E 1788/4885GAA 3075/4885
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 MAPT 2030/4885KDM4E 1788/4885GAA 3075/4885
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, CSNK1A1, MKI67 MAPT 2227/4885KDM4E 599/4885GAA 3001/4885
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 MAPT 3817/4885KDM4E 710/4885GAA 3750/4885

“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.