SCHEMBL5380319

SCHEMBL5380319

CCOC(=O)Cc1cn(Cc2ccccc2)nc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.46
PRMT5 O14744 2/20 0.44
P2RX7 Q99572 1/20 0.43
PTGER1 P34995 4/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
PTPN1 P18031 1/20 0.41
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL5380360 0.93 ALDH1A1 (0.49) ALDH1A1LMNAP2RX7MAPK1L3MBTL1
SCHEMBL5120593 0.85 PTGDR2 (0.46) PTGER1PTGDR2
SCHEMBL5387742 0.84 L3MBTL1 (0.46) ALDH1A1LMNAPRMT5PTGDR2PTPN1
SCHEMBL5397452 0.83 ALDH1A1 (0.51) ALDH1A1LMNAP2RX7MAPK1L3MBTL1
SCHEMBL5373814 0.81 CYP4F2 (0.50) ALDH1A1LMNAMEN1KMT2ACACNA1G
SCHEMBL5374629 0.81 PPARG (0.46) ALDH1A1LMNAPRMT5PTGDR2PTPN1
SCHEMBL5385790 0.81 ALDH1A1 (0.54) ALDH1A1LMNAP2RX7MAPK1L3MBTL1
SCHEMBL6036159 0.79 SMN1; SMN2 (0.43) ALDH1A1LMNAPRMT5PTGER1PTGDR2
SCHEMBL5393507 0.79 CNR1 (0.50) ALDH1A1LMNAPTGER1MAPK1L3MBTL1
SCHEMBL5372048 0.76 MEN1 (0.51) ALDH1A1LMNAPTGDR2L3MBTL1NR1H4

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
US-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 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-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 ALDH1A1 134/4885LMNA 1581/4885PRMT5 1528/4885

“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.