SCHEMBL880487

SCHEMBL880487

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

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.67
KMT2A Q03164 5/20 0.49
NPC1 O15118 4/20 0.49
MEN1 O00255 3/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 3/20 0.46
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MDM2 Q00987 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
SCHEMBL880374 0.98 LMNA (0.64) LMNAKMT2ANPC1MEN1RAB9A
SCHEMBL880489 0.86 LMNA (0.49) LMNAKMT2ANPC1MEN1RAB9A
SCHEMBL880426 0.86 LMNA (0.49) LMNAKMT2ANPC1MEN1RAB9A
SCHEMBL14047425 0.86 TDP1 (0.52) LMNAKMT2ANPC1MEN1RAB9A
SCHEMBL880230 0.86 KMT2A (0.67) LMNAKMT2ANPC1MEN1RAB9A
SCHEMBL10280723 0.86 KDM4E (0.56) LMNAKMT2ANPC1MEN1RAB9A
SCHEMBL10280623 0.83 KMT2A (0.47) LMNAKMT2ANPC1MEN1RAB9A
SCHEMBL880247 0.83 MEN1 (0.47) LMNAKMT2ANPC1MEN1RAB9A
SCHEMBL880294 0.81 TP53 (0.47) LMNAKMT2ANPC1SMN1; SMN2TP53
SCHEMBL880276 0.81 LMNA (1.00) LMNAKMT2ANPC1MEN1RAB9A

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 8 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
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 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
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 LMNA 525/4885KMT2A 1570/4885NPC1 2064/4885
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 LMNA 3569/4885KMT2A 4389/4885NPC1 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.