SCHEMBL4850371

SCHEMBL4850371

OCc1cc(OCc2ccccc2)nn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.44
PKM P14618 1/20 0.41
HTT P42858 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAPK14 Q16539 1/20 0.40
GRM5 P41594 2/20 0.39
GRM3 Q14832 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
RHEB Q15382 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
BCHE P06276 1/20 0.38
LIPC P11150 1/20 0.38
ACHE P22303 1/20 0.38
LIPE Q05469 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL6252564 0.89 CYP4F2 (0.46) MDM2PKMHTTMAPK14GRM5
SCHEMBL6035812 0.81 PKM (0.56) PKMRHEBALDH1A1CYP4F2CYP4A11
SCHEMBL2920812 0.79 L3MBTL1 (0.50) MDM2PKMMAPK14BCHELIPC
SCHEMBL4846471 0.78 MDM2 (0.52) MDM2PKMHTTMAPK14ALDH1A1
SCHEMBL6252572 0.77 ALDH1A1 (0.47) MDM2PKMHTTMAPK14GRM5
SCHEMBL5111208 0.77 PKM (0.43) PKMHTTRHEBALDH1A1LMNA
SCHEMBL4852255 0.75 PKM (0.43) MDM2PKMHTTMAPK14GRM5
SCHEMBL5399902 0.75 MAPT (0.50) MDM2HTTALDH1A1NPSR1MAPT
SCHEMBL4850867 0.74 SMN1; SMN2 (0.52) MDM2PKMHTTALDH1A1MAPT
SCHEMBL16112208 0.74 SMPD1 (0.47) MDM2PKMHTTMAPK14ALDH1A1

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-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US 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
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP 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 (3 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 MDM2 1947/4885PKM 3483/4885HTT 2050/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 MDM2 4488/4885PKM 2082/4885HTT 3699/4885
US-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 MDM2 3701/4885PKM 3012/4885HTT 4094/4885

“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.