SCHEMBL29655342

SCHEMBL29655342

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
SCHEMBL4575707 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-11357246-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2022-06-14 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-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 MAPK1 1556/4885SMN1; SMN2 1778/4885RAB9A 1596/4885
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

“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.