SCHEMBL5407247

SCHEMBL5407247

O=C(O)C=Cc1cn(Cc2ccccc2)nc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
PKM P14618 2/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PTGER3 P43115 6/20 0.52
PTGER4 P35408 6/20 0.52
PTGER2 P43116 6/20 0.52
PTGER1 P34995 4/20 0.52
ATM Q13315 1/20 0.49
MAP3K7 O43318 2/20 0.45
TAB1 Q15750 2/20 0.45
PTGDR Q13258 1/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CNR1 P21554 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL5407245 1.00 GAA (0.64) GAAPKMMEN1KMT2AKDM4E
SCHEMBL6593156 0.94 GAA (0.58) GAAPKMMEN1KMT2AKDM4E
SCHEMBL6593163 0.94 GAA (0.58) GAAPKMMEN1KMT2AKDM4E
SCHEMBL5377143 0.86 MEN1 (0.49) GAAPKMMEN1KMT2AKDM4E
SCHEMBL5106711 0.86 PTGER4 (0.53) GAAPKMMEN1KMT2AKDM4E
SCHEMBL5106708 0.86 PTGER4 (0.53) GAAPKMMEN1KMT2AKDM4E
SCHEMBL5376994 0.83 SMN1; SMN2 (0.53) GAAPKMMEN1KMT2AKDM4E
SCHEMBL5411015 0.82 MEN1 (0.57) GAAPKMMEN1KMT2AKDM4E
SCHEMBL5411022 0.82 MEN1 (0.57) GAAPKMMEN1KMT2AKDM4E
SCHEMBL5376871 0.82 PTGDR2 (0.47) GAAPKMMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 GAA 1352/4885PKM 3483/4885MEN1 1753/4885

“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.