SCHEMBL448440

SCHEMBL448440

COC(=O)c1ccc(CN2Cc3c(cc(OC)c(OC)c3Br)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK10 P53779 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
FAAH O00519 1/20 0.39
HDAC2 Q92769 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL447466 0.90 ALDH1A1 (0.41) MEN1KMT2AMAPK10ALDH1A1HDAC1
SCHEMBL10145490 0.87 MEN1 (0.44) MEN1KMT2AMAPTKDM4EHSD17B10
SCHEMBL3975612 0.84 MAPT (0.43) MEN1KMT2AMAPTALDH1A1HDAC1
SCHEMBL437082 0.84 MEN1 (0.47) MEN1KMT2AMAPK10MAPTKDM4E
SCHEMBL449975 0.82 HDAC1 (0.61) HDAC1HDAC6HDAC2TUBB4ATUBB
SCHEMBL3980428 0.82 GAA (0.40) MEN1KMT2AMAPK10HDAC1HDAC6
SCHEMBL3974440 0.79 ALDH1A1 (0.39) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL451834 0.78 MEN1 (0.53) MEN1KMT2AMAPK10MAPTALDH1A1
SCHEMBL3972272 0.76 CA1 (0.38) ALDH1A1GAACA1CA2CA4
SCHEMBL743176 0.76 LMNA (0.45) MEN1KMT2AKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716326-B2 Isoindolinone derivatives, preparation method thereof and a pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-05-06 US disclosed
US-8716326-B2 Isoindolinone derivatives, preparation method thereof and a pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-05-06 US disclosed
EP-2429987-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Research Institute Of Chemical Technology (KR) 2012-03-21 EP disclosed
US-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-15 US disclosed
US-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-15 US disclosed
WO-2010131922-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-18 WO disclosed
WO-2010131922-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-18 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-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME PPIP5K2, SOST, ALPL MEN1 1458/4885KMT2A 2227/4885MAPK10 2177/4885

“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.