SCHEMBL4846872

SCHEMBL4846872

COc1cc(COc2nn(-c3ccccc3)cc2/C=C/P(=O)(O)O)ccc1OCc1nc(-c2ccccc2)cn1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 13/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
MITF O75030 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.36
PTGER4 P35408 1/20 0.35
PTGER2 P43116 1/20 0.35
CSF1R P07333 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX12 P18054 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
SCHEMBL4846914 1.00 PDE10A (0.39) PDE10AMEN1KMT2AKDM4EMAPT
SCHEMBL4852679 0.88 PDE10A (0.42) PDE10AMEN1KMT2AMAPTPOLB
SCHEMBL4853130 0.83 F2RL3 (0.40) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL4845738 0.83 PPARG (0.43) MAPTPOLB
SCHEMBL4853167 0.83 F2RL3 (0.40) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL4850791 0.83 PPARD (0.42) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL4845730 0.83 PPARG (0.43) MAPTPOLB
SCHEMBL4850827 0.83 PPARD (0.42) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL4843867 0.80 PPARG (0.40) KMT2AKDM4EMAPTLMNA
SCHEMBL4843882 0.80 PPARG (0.40) KMT2AKDM4EMAPTLMNA

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 PDE10A 1262/4885MEN1 3268/4885KMT2A 1792/4885

“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.