SCHEMBL4845475

SCHEMBL4845475

COc1cc(CCl)ccc1OCc1nc(-c2cccc(OS(C)(=O)=O)c2)oc1C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.44
KDR P35968 1/20 0.44
TSHR P16473 2/20 0.43
KDM4E B2RXH2 2/20 0.43
PPARG P37231 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 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
SCHEMBL4854116 0.91 KDR (0.56) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL4844000 0.86 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL1731684 0.84 KDR (0.53) SMN1; SMN2MAPTTP53KDRTSHR
SCHEMBL4850580 0.83 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AMAPTTSHR
SCHEMBL4096923 0.81 ALDH1A1 (0.47) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL4850992 0.81 L3MBTL1 (0.50) SMN1; SMN2MEN1KMT2AMAPTKDR
SCHEMBL4852529 0.81 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL4846412 0.81 FFAR1 (0.48) SMN1; SMN2MEN1KMT2AMAPTKDR
SCHEMBL4850246 0.81 PPARG (0.43) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL4034512 0.80 KDR (0.53) SMN1; SMN2MAPTTP53KDRKDM4E

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 SMN1; SMN2 4339/4885MEN1 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.