SCHEMBL880230

SCHEMBL880230

O=C1CC(c2cccc(Br)c2)c2ccc3c(c2N1)CCC3

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.67
MEN1 O00255 3/20 0.67
NPC1 O15118 3/20 0.67
RAB9A P51151 1/20 0.67
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
LMNA P02545 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37

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
SCHEMBL14047425 0.86 TDP1 (0.52) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL880487 0.86 LMNA (0.67) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL880426 0.86 LMNA (0.49) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10280723 0.86 KDM4E (0.56) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL880374 0.83 LMNA (0.64) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL880247 0.83 MEN1 (0.47) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10280623 0.83 KMT2A (0.47) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL880447 0.81 NPC1 (0.62) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL852839 0.81 KMT2A (1.00) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL880489 0.79 LMNA (0.49) KMT2AMEN1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289022-A1 TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF BRANDEIS UNIVERSITY (US) 2013-10-31 US disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US disclosed
WO-2007089548-A2 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2007-08-09 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 (2 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT KMT2A 1570/4885MEN1 4741/4885NPC1 2064/4885
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 KMT2A 4389/4885MEN1 3940/4885NPC1 3/4885

“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.