SCHEMBL5406901

SCHEMBL5406901

O=C(O)Cc1cn(-c2ccccc2)nc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
DRD2 P14416 1/20 0.51
PTGES O14684 4/20 0.49
ALOX5 P09917 3/20 0.49
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PTGS1 P23219 3/20 0.43
PTGS2 P35354 3/20 0.43
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ADORA1 P30542 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
SCHEMBL4847074 0.85 ALDH1A1 (0.54) KDM4EALDH1A1HPGDNPSR1PTGS1
SCHEMBL5395054 0.83 ALDH1A1 (0.51) KDM4EALDH1A1HPGDNPSR1PTGS1
SCHEMBL6035212 0.82 PTGDR2 (0.46) ALDH1A1HPGDPTGER1PTGER4PTGER3
SCHEMBL5120593 0.81 PTGDR2 (0.46) PTGER1PTGER4PTGER3PTGER2PTGDR2
SCHEMBL4296500 0.81 ALKBH1 (0.52) KDM4EALDH1A1HPGDNPSR1PTGS1
SCHEMBL6036159 0.80 SMN1; SMN2 (0.43) ALDH1A1HPGDPTGER1PTGER4PTGER3
SCHEMBL5403139 0.78 CYP4F2 (0.48) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL5407280 0.78 ATP4A (0.42) KDM4EALDH1A1HPGDNPSR1PTGS1
SCHEMBL11825092 0.78 KDM4E (0.47) KDM4EALDH1A1DRD2PTGESALOX5
SCHEMBL5403572 0.78 FFAR1 (0.59) KDM4E

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
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 KDM4E 1421/4885ALDH1A1 134/4885DRD2 1496/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 KDM4E 509/4885ALDH1A1 1442/4885DRD2 4024/4885

“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.