SCHEMBL856541

SCHEMBL856541

COC(=O)n1c(C)cc2c([N+](=O)[O-])c(Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 1/20 0.37
DCTPP1 Q9H773 2/20 0.37
LMNA P02545 3/20 0.37
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
PKM P14618 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
RORC P51449 2/20 0.35
RAF1 P04049 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL6267882 0.93 MAPT (0.36) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL855826 0.79 ALDH1A1 (0.40) MAPTALDH1A1HPGDMAPK1HSD17B10
SCHEMBL855167 0.79 ALDH1A1 (0.40) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL28776219 0.74 PTGDR2 (0.41) MAPTMEN1KMT2AALDH1A1DCTPP1
SCHEMBL27909522 0.72 KMT2A (0.45) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL856033 0.72 PTGS2 (0.50) LMNAPKM
SCHEMBL18052966 0.71 HPGD (0.40) MAPTALDH1A1HPGDMAPK1HSD17B10
SCHEMBL18054329 0.70 ALDH1A1 (0.43) MAPTALDH1A1HPGDMAPK1HSD17B10
SCHEMBL18052954 0.69 HSD17B10 (0.38) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL18054327 0.68 KDR (0.46) MAPTMEN1KMT2AALDH1A1HPGD

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-2075249-B1 Indolylmaleimide derivatives NOVARTIS AG (CH) 2012-03-28 EP disclosed
US-7820672-B2 3-[5-chloro-6-methyl-2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yl]-4-( 1H-indol-3-yl)-pyrrole-2,5-dione; T lymphocytes, Protein Kinase C (PKC) and glycogen synthase kinase 3 beta (GSK3B) mediated diseases; NOVARTIS AG (CH) 2010-10-26 US disclosed
EP-1597250-B1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2010-04-07 EP disclosed
EP-2075249-A2 Indolylmaleimide derivatives Novartis AG (CH) 2009-07-01 EP disclosed
US-20060058356-A1 Indolylmaleimide derivatives NOVARTIS AG 2006-03-16 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 (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-20060058356-A1 Indolylmaleimide derivatives GSK3B, GSK3A, GSKIP MAPT 887/4885MEN1 3377/4885KMT2A 1839/4885

“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.