SCHEMBL3500217

SCHEMBL3500217

COC(=O)c1cc2cc(-c3ccc(Cl)cc3)ccc2[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
IDH1 O75874 2/20 0.47
NR4A2 P43354 3/20 0.46
SLC6A3 Q01959 2/20 0.46
SLC6A4 P31645 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHEK1 O14757 1/20 0.44
DAO P14920 1/20 0.44
ABCB1 P08183 1/20 0.43
GLA P06280 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
SCHEMBL22502713 0.89 DAO (0.56) KDM4EGAAALDH1A1POLBIDH1
SCHEMBL27691033 0.86 MMP2 (0.56) KDM4EGAAALDH1A1POLBNR4A2
SCHEMBL3501101 0.83 KDM4E (0.56) KDM4EGAAALDH1A1POLBDAO
SCHEMBL10330650 0.81 DAO (0.56) KDM4EGAAALDH1A1NR4A2CHEK1
SCHEMBL27671973 0.79 NR4A2 (0.61) KDM4EGAAALDH1A1POLBNR4A2
SCHEMBL12082628 0.79 ALDH1A1 (0.61) KDM4EGAAALDH1A1POLBNR4A2
Water SCHEMBL27671944 0.78 NR4A2 (0.60) KDM4EGAAALDH1A1POLBNR4A2
SCHEMBL19126580 0.78 DAO (0.56) KDM4EGAAALDH1A1POLBIDH1
SCHEMBL6306443 0.77 KDM4E (0.45) KDM4EGAAALDH1A1POLBNR4A2
SCHEMBL3632228 0.76 PADI4 (0.56) KDM4EGAAALDH1A1POLBNR4A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 KDM4E 2059/4885GAA 4620/4885ALDH1A1 3047/4885

“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.