SCHEMBL6519307

SCHEMBL6519307

COc1ccc(CN2C(=O)C(N)N=C(c3c(Cl)cccc3Cl)c3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CHRM5 P08912 1/20 0.49
CASP3 P42574 2/20 0.45
GSK3B P49841 1/20 0.44
ADK P55263 1/20 0.44
KDM4E B2RXH2 1/20 0.44
APP P05067 2/20 0.42
MAPT P10636 2/20 0.42
SNCA P37840 2/20 0.42
MEN1 O00255 1/20 0.42
APAF1 O14727 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
SCN9A Q15858 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41

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
SCHEMBL6517614 0.93 TSHR (0.48) TSHRCHRM5CASP3GSK3BADK
SCHEMBL12781059 0.91 TSHR (0.47) TSHRCHRM5CASP3GSK3BADK
SCHEMBL8288083 0.87 GABRP (0.57) TSHRCASP3APPMAPTSNCA
SCHEMBL8278877 0.87 GABRP (0.57) TSHRCASP3APPMAPTSNCA
SCHEMBL14338826 0.87 GABRP (0.57) TSHRCASP3APPMAPTSNCA
SCHEMBL14338824 0.87 GABRP (0.57) TSHRCASP3APPMAPTSNCA
SCHEMBL16498133 0.84 TSHR (0.43) TSHRCHRM5CASP3GSK3BADK
SCHEMBL16498130 0.84 TSHR (0.43) TSHRCHRM5CASP3GSK3BADK
SCHEMBL6516243 0.82 CCKBR (0.49) TSHR
SCHEMBL18412757 0.75 TP53 (0.64) TSHRCASP3APPMAPTSNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059043-A1 CHEMICAL COMPOUNDS ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 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-20110059043-A1 CHEMICAL COMPOUNDS CYP2E1, CNR1, CYP3A5 TSHR 598/4885CHRM5 66/4885CASP3 1476/4885

“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.