SCHEMBL855826

SCHEMBL855826

COC(=O)n1c(C)cc2c(Br)c(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGS1 P23219 1/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 1/20 0.35
PTGS2 P35354 4/20 0.34
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32

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
SCHEMBL6268445 0.85 PTGS2 (0.46) PTGS1AKR1C3PTGS2CNR2CNR1
SCHEMBL855167 0.83 ALDH1A1 (0.40) ALDH1A1HPGDMAPK1HSD17B10PTGS1
SCHEMBL856541 0.79 MAPT (0.39) ALDH1A1HPGDMAPK1HSD17B10MAPT
SCHEMBL18052955 0.77 ALDH1A1 (0.40) ALDH1A1HPGDMAPK1HSD17B10PTGS1
SCHEMBL856033 0.76 PTGS2 (0.50) PTGS1AKR1C3AKR1C2PTGS2CNR2
SCHEMBL18052966 0.75 HPGD (0.40) ALDH1A1HPGDMAPK1HSD17B10MAPT
SCHEMBL20224044 0.74 ALDH1A1 (0.38) ALDH1A1HPGDMAPK1HSD17B10PTGS1
SCHEMBL18157746 0.74 ELANE (0.40) ALDH1A1HPGDMAPK1HSD17B10MAPT
SCHEMBL18054329 0.74 ALDH1A1 (0.43) ALDH1A1HPGDMAPK1HSD17B10MAPT
SCHEMBL18054352 0.73 RORC (0.39) ALDH1A1HPGDMAPK1HSD17B10MAPT

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 ALDH1A1 3792/4885HPGD 1483/4885MAPK1 768/4885

“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.