SCHEMBL21020583

SCHEMBL21020583

CN(c1ccc(F)cc1)c1cccc2c1sc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.39
GPR3 P46089 1/20 0.37
IDO1 P14902 1/20 0.35
PARP14 Q460N5 1/20 0.35
CES1 P23141 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
POLB P06746 1/20 0.34
KCNH2 Q12809 1/20 0.34
PTGS2 P35354 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL2742930 0.88 GPR3 (0.42) GPR3PARP14ALOX5MAPTNPC1
SCHEMBL21021046 0.87 GPR3 (0.38) GPR3PARP14CES1ALOX5MAPT
SCHEMBL20172781 0.85 ALOX5 (0.40) GPR3PARP14ALOX5MAPTNPC1
SCHEMBL21020586 0.85 MPI (0.35) GPR3PARP14ALOX5MAPTTP53
SCHEMBL20733887 0.84 GPR3 (0.48) GPR3PARP14ALOX5MAPTPOLB
SCHEMBL21020328 0.84 CES1 (0.33) CES1POLBKCNH2
SCHEMBL21021051 0.83 GRM1 (0.38) GPR3PARP14ALOX5MAPTTP53
SCHEMBL21021043 0.83 TNKS (0.40) CYP2D6HTR2AGPR3PARP14ALOX5
SCHEMBL21021052 0.83 GPR3 (0.35) HRH1CYP2D6CHRM1GPR3PARP14
SCHEMBL21020581 0.83 MAPT (0.35) GPR3PARP14ALOX5MAPTNPC1

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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 HRH1 4571/4885CYP2D6 691/4885CHRM1 3258/4885

“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.