SCHEMBL4849149

SCHEMBL4849149

COC(=O)c1cc(-c2nc(CCl)c(C)o2)ccc1OS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARG P37231 7/20 0.42
PPARA Q07869 6/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL4850580 0.86 SMN1; SMN2 (0.43) KDM4EHSD17B10SMN1; SMN2MAPTALDH1A1
SCHEMBL4851280 0.83 PPARG (0.46) KDM4EHSD17B10HTTSMN1; SMN2MAPT
SCHEMBL4854184 0.81 SMN1; SMN2 (0.43) KDM4EHSD17B10HTTSMN1; SMN2MAPT
SCHEMBL2080149 0.76 MEN1 (0.57) KDM4EHSD17B10SMN1; SMN2MAPTALDH1A1
SCHEMBL2078397 0.74 KDM4E (0.52) KDM4EHSD17B10HTTSMN1; SMN2MAPT
SCHEMBL4096923 0.74 ALDH1A1 (0.47) KDM4ESMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL4850825 0.74 ALDH1A1 (0.44) KDM4EHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL12163682 0.73 POLB (0.55) KDM4EHSD17B10HTTALDH1A1HPGD
SCHEMBL4844166 0.72 PPARG (0.46) KDM4EHSD17B10SMN1; SMN2MAPTALDH1A1
SCHEMBL2897153 0.70 CYP46A1 (0.47) KDM4EHSD17B10HTTSMN1; SMN2MAPT

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 719/4885HSD17B10 23/4885HTT 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.