SCHEMBL12469075

SCHEMBL12469075

Clc1cccc(N2CCN(CCCSc3nnc(-c4ccncc4)o3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.64
GSK3B P49841 3/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
KCNH2 Q12809 1/20 0.52
TSHR P16473 2/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
GSK3A P49840 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46

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
SCHEMBL12468948 0.94 GSK3B (0.56) HRH3GSK3BGAAMAPTKCNH2
SCHEMBL12468821 0.87 HRH3 (0.66) HRH3GSK3BMAPTTSHRKMT2A
SCHEMBL12469067 0.86 HRH3 (0.61) HRH3MAPTPOLBSIGMAR1
SCHEMBL12469429 0.83 HRH3 (0.64) HRH3GSK3BMAPT
SCHEMBL12468897 0.81 HRH3 (0.68) HRH3GSK3BMAPK1GSK3A
SCHEMBL12468760 0.81 HRH3 (0.56) HRH3GSK3BMAPTTSHRKMT2A
SCHEMBL12468740 0.80 TP53 (0.57) HRH3GSK3BMAPTTSHRPOLB
SCHEMBL12469133 0.79 HRH3 (0.64) HRH3GSK3BMAPTMAPK1GSK3A
SCHEMBL12469545 0.77 HRH3 (0.55) HRH3GSK3BMAPTTSHRKMT2A
SCHEMBL15431854 0.75 HRH3 (0.61) HRH3

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-20130289047-A1 HETEROARYLTHIO DERIVATIVES AND ANALOGUES EPIOMED THERAPEUTICS, INC. (US) 2013-10-31 US disclosed
WO-2012051601-A2 HETEROARYLTHIO COMPOUNDS EPIOMED THERAPEUTICS, INC. (US) 2012-04-19 WO 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-20130289047-A1 HETEROARYLTHIO DERIVATIVES AND ANALOGUES NLN, HTT, ABAT HRH3 1812/4885GSK3B 2922/4885GAA 759/4885

“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.