SCHEMBL4575707

SCHEMBL4575707

NC(=O)C(=O)NCCc1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.56
RAB9A P51151 3/20 0.55
CNR1 P21554 1/20 0.55
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD11B1 P28845 1/20 0.53
TAS1R3 Q7RTX0 3/20 0.53
TAS1R1 Q7RTX1 3/20 0.53
HRH3 Q9Y5N1 1/20 0.53
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
ALOX15 P16050 1/20 0.51
PKM P14618 2/20 0.50
CYP1A2 P05177 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL29655342 1.00 MAPK1 (0.65) MAPK1SMN1; SMN2RAB9ACNR1MEN1
SCHEMBL2755853 0.87 MAPK1 (0.60) MAPK1SMN1; SMN2RAB9ACNR1MEN1
SCHEMBL30206599 0.87 MAPK1 (0.60) MAPK1SMN1; SMN2RAB9ACNR1MEN1
SCHEMBL31558918 0.83 SMN1; SMN2 (0.80) SMN1; SMN2RAB9AMEN1NPC1KMT2A
SCHEMBL16866627 0.83 MAPK1 (0.64) MAPK1SMN1; SMN2RAB9ACNR1MEN1
SCHEMBL1694984 0.81 RAB9A (0.62) MAPK1SMN1; SMN2RAB9ACNR1MEN1
SCHEMBL27263888 0.81 RAB9A (0.58) MAPK1SMN1; SMN2RAB9ACNR1MEN1
SCHEMBL702021 0.80 TAS1R3 (0.58) MAPK1SMN1; SMN2RAB9AMEN1NPC1
SCHEMBL10192960 0.80 SMN1; SMN2 (0.65) MAPK1SMN1; SMN2RAB9ACNR1NPC1
SCHEMBL170486 0.80 RAB9A (0.57) MAPK1SMN1; SMN2RAB9ACNR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 EP claimed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US claimed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 EP claimed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 WO claimed
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2022-10-13 US disclosed
EP-3235811-B1 PROCESS OF PREPARING OXALAMIDES SENOMYX INC (US) 2018-07-25 EP disclosed
CN-101400336-B Novel flavoring agents, taste modifiers, tastants, taste enhancers, umami or sweeteners and/or enhancers and uses thereof SENOMYX INC 2013-06-05 CN disclosed
CN-101400336-A Novel flavoring agents, taste modifiers, tastants, taste enhancers, umami or sweeteners and/or enhancers and uses thereof SENOMYX INC (US) 2009-04-01 CN disclosed
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 EP disclosed
CN-101203142-A Aromatic amides and ureas and their uses as sweet and/or delicate flavor modifiers, flavouring agents and taste enhancers SENOMYX INC (US) 2008-06-18 CN disclosed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 EP disclosed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 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 (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-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 MAPK1 2085/4885SMN1; SMN2 2560/4885RAB9A 4173/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS MAPK1 19/4885SMN1; SMN2 3846/4885RAB9A 1196/4885

“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.