SCHEMBL6327320

SCHEMBL6327320

O=C1Nc2ccccc2/C1=C(/Nc1cccc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
MAPT P10636 5/20 0.49
POLB P06746 3/20 0.49
BLM P54132 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
DDX3X O00571 1/20 0.47
HTT P42858 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CASP3 P42574 2/20 0.46
GAA P10253 1/20 0.46
GSK3B P49841 2/20 0.43
GSK3A P49840 1/20 0.43

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
SCHEMBL6327321 1.00 KMT2A (0.49) KMT2AMEN1MAPTPOLBBLM
SCHEMBL7082746 0.89 KMT2A (0.45) KMT2AMEN1MAPTPOLBBLM
SCHEMBL7082740 0.89 KMT2A (0.45) KMT2AMEN1MAPTPOLBBLM
SCHEMBL6320334 0.87 MEN1 (0.51) KMT2AMEN1MAPTPOLBNPC1
SCHEMBL6320328 0.87 MEN1 (0.51) KMT2AMEN1MAPTPOLBNPC1
SCHEMBL28414296 0.86 EGFR (0.55) KMT2AMEN1MAPTPOLBBLM
SCHEMBL29642973 0.86 EGFR (0.55) KMT2AMEN1MAPTPOLBBLM
SCHEMBL6318586 0.83 SMN1; SMN2 (0.51) KMT2AMEN1MAPTPOLBBLM
SCHEMBL6318621 0.83 SMN1; SMN2 (0.51) KMT2AMEN1MAPTPOLBBLM
SCHEMBL6319460 0.83 EGFR (0.54) KMT2AMEN1MAPTPOLBBLM

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
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 KMT2A 750/4885MEN1 3345/4885MAPT 3817/4885

“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.