SCHEMBL14749180

SCHEMBL14749180

CC(C)(CO)NC(=O)c1ccc(Br)c(C(=O)NC(C)(C)CO)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPC1 O15118 2/20 0.53
ATM Q13315 1/20 0.53
PPARG P37231 1/20 0.42
POLB P06746 2/20 0.40
MAP4K4 O95819 1/20 0.39
CNR1 P21554 4/20 0.38
CNR2 P34972 4/20 0.38
SYK P43405 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABL1 P00519 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
SCHEMBL14743630 0.88 RAB9A (0.53) RAB9ANPC1ATMPOLBMAP4K4
SCHEMBL25385568 0.85 NPC1 (0.53) RAB9ANPC1ATMPOLBMAP4K4
SCHEMBL12553696 0.85 NPC1 (0.53) RAB9ANPC1ATMPOLBMAP4K4
SCHEMBL2727656 0.82 HPGD (0.54) RAB9ANPC1ATMPOLBKDM4E
SCHEMBL11833701 0.81 HPGD (0.55) RAB9ANPC1POLBCNR1CNR2
SCHEMBL1933162 0.81 RAB9A (0.53) RAB9ANPC1ATMPOLBCNR1
SCHEMBL11838628 0.80 RAB9A (0.48) RAB9ANPC1ATML3MBTL1MAPT
SCHEMBL1933702 0.79 NPC1 (0.48) RAB9ANPC1ATMKDM4EDGAT2
SCHEMBL4240834 0.79 OGG1 (0.53) RAB9ANPC1ATMPOLBKDM4E
SCHEMBL2759010 0.77 NPC1 (0.61) RAB9ANPC1ATMPOLBMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701841-B2 Cell permeable, fluorescent dye ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2017-07-11 US disclosed
US-9701841-B2 Cell permeable, fluorescent dye ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2017-07-11 US disclosed
US-9701841-B2 Cell permeable, fluorescent dye ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2017-07-11 US disclosed
EP-2748173-B1 CELL PERMEABLE, FLUORESCENT DYE ECOLE POLYTECH (CH) 2016-11-23 EP disclosed
EP-2748173-B1 CELL PERMEABLE, FLUORESCENT DYE ECOLE POLYTECH (CH) 2016-11-23 EP disclosed
US-20160230011-A1 CELL PERMEABLE, FLUORESCENT DYE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2016-08-11 US disclosed
US-20160230011-A1 CELL PERMEABLE, FLUORESCENT DYE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2016-08-11 US disclosed
US-20160230011-A1 CELL PERMEABLE, FLUORESCENT DYE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2016-08-11 US disclosed
US-9346957-B2 Cell permeable, fluorescent dye ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) (CH) 2016-05-24 US disclosed
US-9346957-B2 Cell permeable, fluorescent dye ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) (CH) 2016-05-24 US disclosed
US-9346957-B2 Cell permeable, fluorescent dye ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) (CH) 2016-05-24 US disclosed
US-20140349282-A1 Cell Permeable, Fluorescent Dye ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2014-11-27 US disclosed
US-20140349282-A1 Cell Permeable, Fluorescent Dye ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2014-11-27 US disclosed
US-20140349282-A1 Cell Permeable, Fluorescent Dye ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2014-11-27 US disclosed
WO-2013029650-A1 CELL PERMEABLE, FLUORESCENT DYE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2013-03-07 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-20160230011-A1 CELL PERMEABLE, FLUORESCENT DYE EPCAM, IK, TSPO RAB9A 260/4885NPC1 941/4885ATM 2561/4885

“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.