SCHEMBL4848415

SCHEMBL4848415

O=P(O)(O)C=Cc1cc(OCc2ccccc2)nn1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.41
GRM5 P41594 2/20 0.38
GRM3 Q14832 1/20 0.38
PKM P14618 1/20 0.38
ALPG P10696 1/20 0.37
PTK2B Q14289 1/20 0.37
HTT P42858 1/20 0.37
MAPK14 Q16539 1/20 0.37
TSHR P16473 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BCHE P06276 1/20 0.35
LIPC P11150 1/20 0.35
ACHE P22303 1/20 0.35
LIPE Q05469 1/20 0.35
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4848397 1.00 MDM2 (0.41) MDM2GRM5GRM3PKMALPG
SCHEMBL4852255 0.83 PKM (0.43) MDM2GRM5GRM3PKMHTT
SCHEMBL5405463 0.83 ALDH1A1 (0.48) MDM2GRM5GRM3PKMHTT
SCHEMBL5405458 0.83 ALDH1A1 (0.48) MDM2GRM5GRM3PKMHTT
SCHEMBL4846471 0.73 MDM2 (0.52) MDM2PKMHTTMAPK14ALDH1A1
SCHEMBL4850867 0.72 SMN1; SMN2 (0.52) MDM2PKMHTTALDH1A1MAPT
SCHEMBL16112208 0.72 SMPD1 (0.47) MDM2PKMHTTMAPK14ALDH1A1
SCHEMBL4850371 0.71 MDM2 (0.44) MDM2GRM5GRM3PKMHTT
SCHEMBL4843853 0.71 PTGS2 (0.47) ALPGPTK2BTSHRALDH1A1NPSR1
SCHEMBL4843840 0.71 PTGS2 (0.47) ALPGPTK2BTSHRALDH1A1NPSR1

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 MDM2 3701/4885GRM5 1759/4885GRM3 2868/4885

“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.