SCHEMBL4852273

SCHEMBL4852273

COc1cc(C=O)ccc1OCc1csc(N2CCCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 7/20 0.49
ALDH1A3 P47895 1/20 0.49
FDPS P14324 1/20 0.47
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.43
F2RL3 Q96RI0 1/20 0.42
ERBB2 P04626 4/20 0.42
EPHA2 P29317 4/20 0.42
KDR P35968 3/20 0.42
EPHB4 P54760 3/20 0.42
APP P05067 2/20 0.42

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
SCHEMBL4848215 0.90 ALDH1A1 (0.53) KDM4EALDH1A1FDPSMAPTMEN1
SCHEMBL4851683 0.82 POLB (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4847887 0.80 KDM4E (0.49) KDM4EALDH1A1ALDH1A3FDPSMAPT
SCHEMBL6972867 0.78 ALDH1A1 (0.64) KDM4EALDH1A1FDPSMAPTMEN1
SCHEMBL4845922 0.76 MEN1 (0.40) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4850882 0.72 NPC1 (0.53) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4852246 0.71 ALDH1A1 (0.53) KDM4EALDH1A1FDPSMAPTMEN1
SCHEMBL30462846 0.70 FDPS (0.67) KDM4EALDH1A1ALDH1A3FDPSMAPT
SCHEMBL2421772 0.70 FDPS (0.67) KDM4EALDH1A1ALDH1A3FDPSMAPT
SCHEMBL1224760 0.70 ALDH1A1 (0.62) KDM4EALDH1A1FDPSMAPTMEN1

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 3 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-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

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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 KDM4E 719/4885ALDH1A1 821/4885ALDH1A3 1559/4885

“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.