SCHEMBL5402973

SCHEMBL5402973

O=C(O)c1cc(O)nn1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
GAA P10253 1/20 0.63
GRN P28799 1/20 0.61
SORT1 Q99523 1/20 0.61
KDM4E B2RXH2 3/20 0.51
RPA1 P27694 1/20 0.47
MAPK1 P28482 1/20 0.45
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
RECQL P46063 3/20 0.43
CTDSP1 Q9GZU7 2/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 2/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
MCL1 Q07820 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4850604 0.82 SMN1; SMN2 (0.60) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL68764 0.81 RPA1 (0.65) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL28923697 0.80 SMN1; SMN2 (0.59) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL14408061 0.80 GRN (0.46) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL19101969 0.80 ALDH1A1 (0.47) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL22897161 0.80 ALDH1A1 (0.61) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL1259093 0.80 ALDH1A1 (0.66) ALDH1A1GAAGRNSORT1MAPK1
SCHEMBL4993401 0.80 ALDH1A1 (0.61) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL17369126 0.79 ALDH1A1 (0.59) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL3260907 0.79 ALDH1A1 (0.67) ALDH1A1GAAGRNSORT1KDM4E

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
CN-105175336-B A kind of carboxamides derivatives of 3 (3,3 2 chloroallyloxyamino) 1 Phenylpyrazole 5 and preparation method thereof 南阳师范学院 2017-11-03 CN disclosed
US-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US disclosed
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO 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
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 ALDH1A1 134/4885GAA 1352/4885GRN 4691/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 ALDH1A1 1442/4885GAA 815/4885GRN 4564/4885

“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.