SCHEMBL880445

SCHEMBL880445

O=C1CC(c2cccnc2)c2ccc3ccccc3c2N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 1/20 0.60
HSD17B10 Q99714 1/20 0.57
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
IDO1 P14902 2/20 0.48
TP53 P04637 3/20 0.43
POLB P06746 1/20 0.42
MTNR1A P48039 1/20 0.39
CYP19A1 P11511 1/20 0.38
KDM4E B2RXH2 2/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL10280365 0.86 LMNA (0.66) LMNAMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL852442 0.86 LMNA (0.72) LMNAMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL880453 0.84 LMNA (0.54) LMNAMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL10280605 0.81 TP53 (0.64) LMNAMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL852380 0.79 MAPT (0.68) LMNAMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL880231 0.79 MAPT (0.68) LMNAMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL880435 0.79 MAPT (0.68) LMNAMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL13522397 0.79 MAPT (0.68) LMNAMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL10280618 0.79 MAPT (0.68) LMNAMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL880281 0.79 MAPT (0.68) LMNAMAPTSMN1; SMN2HTTHSD17B10

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-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
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 525/4885MAPT 30/4885SMN1; SMN2 41/4885
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 LMNA 3569/4885MAPT 640/4885SMN1; SMN2 229/4885

“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.