SCHEMBL21021052

SCHEMBL21021052

CC(C)c1ccc(N(C)c2cccc3c2sc2ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
NOD2 Q9HC29 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARP14 Q460N5 1/20 0.34
DHFR P00374 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HRH1 P35367 7/20 0.33
CYP2D6 P10635 4/20 0.33
CHRM1 P11229 3/20 0.33
CYP3A4 P08684 2/20 0.33
KCNH2 Q12809 2/20 0.33
ALOX5 P09917 1/20 0.33
ADRA1B P35368 1/20 0.33
EGFR P00533 2/20 0.32
PIM1 P11309 1/20 0.31

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 0.85 GPR3 (0.42) GPR3MAPTRAB9AL3MBTL1PARP14
SCHEMBL20650466 0.85 GPR3 (0.34) GPR3MAPTRAB9APAX8NOD2
SCHEMBL21021046 0.84 GPR3 (0.38) GPR3MAPTRAB9AL3MBTL1PARP14
SCHEMBL21020458 0.83 DHFR (0.34) DHFR
SCHEMBL21021490 0.83 DHFR (0.34) DHFR
SCHEMBL20172781 0.83 ALOX5 (0.40) GPR3MAPTRAB9APARP14TP53
SCHEMBL21020583 0.83 HRH1 (0.39) GPR3MAPTRAB9APARP14TP53
SCHEMBL21020338 0.83 DHFR (0.32) DHFR
SCHEMBL21020326 0.82 DHFR (0.33) DHFR
SCHEMBL20733887 0.82 GPR3 (0.48) GPR3MAPTRAB9AL3MBTL1PARP14

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 GPR3 4628/4885MAPT 1486/4885RAB9A 2691/4885

“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.