SCHEMBL4033996

SCHEMBL4033996

Cc1nn(-c2ccccn2)cc1COc1ccc(C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 3/20 0.42
RAB9A P51151 3/20 0.40
DGAT1 O75907 1/20 0.37
GAA P10253 2/20 0.36
OPRL1 P41146 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
PTPN1 P18031 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL4849196 0.83 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4031699 0.82 MAPT (0.38) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6034575 0.79 FFAR1 (0.53)
SCHEMBL4035599 0.75 PTGDR2 (0.46) ALDH1A1LMNARAB9AL3MBTL1NPC1
SCHEMBL4035243 0.75 PTGDR2 (0.45) ALDH1A1LMNARAB9AL3MBTL1NPC1
SCHEMBL3969642 0.74 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4031762 0.74 MAPT (0.38) LMNARAB9ANPC1MAPTHTT
SCHEMBL4034226 0.73 MAPT (0.37) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL4034446 0.73 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4037070 0.73 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1KDM4EL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK SMN1; SMN2 4458/4885ALDH1A1 176/4885KDM4E 570/4885

“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.