SCHEMBL5380579

SCHEMBL5380579

CCOC(=O)CCc1cn(Cc2ccccc2)nc1O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.49
CYP4A11 Q02928 3/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALOX5 P09917 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL5378990 0.91 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1LMNAKMT2A
SCHEMBL5397452 0.88 ALDH1A1 (0.51) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL5373814 0.86 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1LMNAMEN1
SCHEMBL6035392 0.85 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1LMNAMEN1
SCHEMBL5383041 0.83 HDAC1 (0.53) CYP4F2CYP4A11ALDH1A1LMNAMEN1
SCHEMBL5381180 0.81 HDAC1 (0.52) CYP4F2CYP4A11ALDH1A1LMNAMEN1
SCHEMBL6158851 0.80 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1LMNAMEN1
SCHEMBL5113183 0.80 NPC1 (0.54) CYP4F2CYP4A11ALDH1A1LMNAMEN1
SCHEMBL5395380 0.80 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2AHDAC1
SCHEMBL5387742 0.80 L3MBTL1 (0.46) CYP4F2CYP4A11ALDH1A1LMNAHDAC1

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 10 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
CN-1260227-C 5-membered ring heterocyclic compounds with nitrogen TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-06-21 CN 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
CN-1413207-A 5-membered ring heterocyclic compounds with nitrogen TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-23 CN 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 CYP4F2 1465/4885CYP4A11 184/4885ALDH1A1 134/4885

“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.