SCHEMBL2413744

SCHEMBL2413744

CC(C)=Cc1cccc(N(C#N)C(=O)NC(=O)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
MAPT P10636 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPK1 P28482 3/20 0.45
LMNA P02545 6/20 0.44
GLA P06280 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 5/20 0.37
KMT2A Q03164 5/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 5/20 0.36
ALOX12 P18054 2/20 0.36
MEN1 O00255 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MITF O75030 1/20 0.35
MDM2 Q00987 1/20 0.35

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
SCHEMBL2421497 0.86 ALDH1A1 (0.39) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL3826563 0.82 ALDH1A1 (0.38) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL2419603 0.82 ALDH1A1 (0.38) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL1622085 0.82 SMN1; SMN2 (0.49) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL1620812 0.80 KDM4E (0.40) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL2420512 0.80 KCNK3 (0.41) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL1622376 0.79 RAB9A (0.56) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL1622243 0.77 RAB9A (0.45) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL1621882 0.75 CCR6 (0.47) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL2416509 0.73 NPC1 (0.40) ALDH1A1MAPTNPC1RAB9AMAPK1

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
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

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 ALDH1A1 4242/4885MAPT 3087/4885NPC1 2949/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 ALDH1A1 4242/4885MAPT 3087/4885NPC1 2949/4885

“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.