SCHEMBL2416508

SCHEMBL2416508

CC(C)(C)COc1cccc(NC(=O)NC(=O)c2ccccc2)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.53
NPC1 O15118 7/20 0.53
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 1/20 0.38
SMO Q99835 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 2/20 0.37
UGCG Q16739 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
XDH P47989 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
SCHEMBL618628 0.85 NPC1 (0.45) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1622747 0.84 RAB9A (0.71) RAB9ANPC1MEN1KMT2ASMO
SCHEMBL1622084 0.78 RAB9A (0.55) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL2420507 0.78 RAB9A (0.55) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL618888 0.77 SMN1; SMN2 (0.49) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL28312045 0.77 RAB9A (0.53) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL2415771 0.77 NPC1 (0.42) RAB9ANPC1MEN1KMT2APKM
SCHEMBL2418847 0.77 KDM4E (0.52) RAB9ANPC1PKMKDM4E
SCHEMBL1620809 0.76 RAB9A (0.68) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL2415630 0.76 RAB9A (0.50) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 EP disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 EP disclosed
US-9181276-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2015-11-10 US disclosed
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2014-08-21 US disclosed
US-8633186-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC. (US) 2014-01-21 US disclosed
EP-2573559-A1 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-27 EP disclosed
EP-2568287-A2 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-13 EP disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 US disclosed
EP-2062050-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH Senomyx, Inc. (US) 2009-05-27 EP disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 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-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 RAB9A 3040/4885NPC1 2949/4885MEN1 4038/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 RAB9A 3040/4885NPC1 2949/4885MEN1 4038/4885

“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.