SCHEMBL880268

SCHEMBL880268

COc1cc(C2CC(=O)Nc3c2ccc2ccccc32)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.57
MAPT P10636 2/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
MAPK1 P28482 2/20 0.56
KMT2A Q03164 4/20 0.54
HSD17B10 Q99714 1/20 0.54
TP53 P04637 1/20 0.51
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.48
BLM P54132 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
TSHR P16473 1/20 0.46
IDO1 P14902 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL18268197 0.91 LMNA (0.59) LMNASMN1; SMN2MAPTHTTALDH1A1
SCHEMBL18268204 0.86 LMNA (0.47) LMNASMN1; SMN2MAPTHTTALDH1A1
SCHEMBL6855803 0.83 LMNA (0.54) LMNASMN1; SMN2MAPTALDH1A1TDP1
SCHEMBL14942712 0.83 SMN1; SMN2 (0.64) LMNASMN1; SMN2MAPTHTTALDH1A1
SCHEMBL880271 0.82 LMNA (0.62) LMNASMN1; SMN2MAPTHTTALDH1A1
SCHEMBL880270 0.81 TP53 (0.73) LMNASMN1; SMN2MAPTHTTALDH1A1
SCHEMBL880246 0.81 LMNA (0.53) LMNASMN1; SMN2MAPTHTTALDH1A1
SCHEMBL17001456 0.80 LMNA (0.44) LMNASMN1; SMN2MAPTHTTALDH1A1
SCHEMBL852442 0.80 LMNA (0.72) LMNASMN1; SMN2MAPTHTTALDH1A1
SCHEMBL880302 0.80 LMNA (0.65) LMNASMN1; SMN2MAPTHTTALDH1A1

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
EP-3102567-B1 INHIBITORS OF PAXILLIN FUNCTION AND RELATED COMPOSITIONS AND METHODS UNIV TENNESSEE RES FOUND (US) 2019-07-17 EP disclosed
US-9834525-B2 Inhibitors of paxillin function and related compositions and methods UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2017-12-05 US disclosed
US-20160347725-A1 INHIBITORS OF PAXILLIN FUNCTION AND RELATED COMPOSITIONS AND METHODS UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2016-12-01 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

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-20160347725-A1 INHIBITORS OF PAXILLIN FUNCTION AND RELATED COMPOSITIONS AND METHODS CTTN, PTK2, CDC42 LMNA 797/4885SMN1; SMN2 1411/4885MAPT 1918/4885
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 LMNA 3569/4885SMN1; SMN2 229/4885MAPT 640/4885

“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.