SCHEMBL16285129

SCHEMBL16285129

COc1cc(C(C)=O)c(N)cc1OCCl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
HTT P42858 2/20 0.49
CYP3A4 P08684 3/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.42
HMGCR P04035 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL16280043 0.88 KDM4E (0.51) KDM4EHTTCYP3A4TSHRGAA
SCHEMBL14678626 0.88 KDM4E (0.54) KDM4EHTTTSHRGAAHMGCR
SCHEMBL705665 0.87 KDM4E (0.69) KDM4EHTTCYP3A4TSHRGAA
SCHEMBL30870738 0.87 KDM4E (0.69) KDM4EHTTCYP3A4TSHRGAA
SCHEMBL7291805 0.86 TSHR (0.62) KDM4EHTTCYP3A4TSHRGAA
SCHEMBL7300064 0.86 TSHR (0.62) KDM4EHTTCYP3A4TSHRGAA
SCHEMBL21753969 0.84 KDM4E (0.54) KDM4EHTTCYP3A4TSHRGAA
SCHEMBL6096678 0.83 KDM4E (0.53) KDM4EHTTCYP3A4TSHRGAA
SCHEMBL4770365 0.83 KDM4E (0.53) KDM4EHTTCYP3A4TSHRGAA
SCHEMBL7291265 0.82 KDM4E (0.51) KDM4EHTTCYP3A4TSHRLMNA

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-9382232-B2 Quinoline and cinnoline derivatives and their applications SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2016-07-05 US disclosed
US-20140364431-A1 Quinoline and cinnoline derivatives and their applications SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2014-12-11 US 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-20140364431-A1 Quinoline and cinnoline derivatives and their applications MET, CHEK1, KIT KDM4E 2948/4885HTT 3216/4885CYP3A4 720/4885

“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.