SCHEMBL21398641

SCHEMBL21398641

Clc1cccc2sc3ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.38
KDM4E B2RXH2 3/20 0.36
MCL1 Q07820 3/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 2/20 0.35
MAPT P10636 6/20 0.33
ALDH1A1 P00352 5/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN12 Q05209 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
HCRTR1 O43613 1/20 0.33
NFKB1 P19838 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
SCHEMBL21398782 0.96 MCL1 (0.38) GPR3KDM4EMCL1MAPK1CYP1A2
SCHEMBL19656440 0.94 GPR3 (0.35) GPR3KDM4EMCL1MAPK1CYP1A2
SCHEMBL21398783 0.91 MAPK1 (0.35) GPR3KDM4EMCL1MAPK1CYP1A2
SCHEMBL21398951 0.89 ALDH1A1 (0.35) GPR3KDM4EMCL1MAPK1MAPT
SCHEMBL21398960 0.89 GPR3 (0.33) GPR3KDM4EMCL1MAPK1CYP1A2
SCHEMBL19239166 0.88 GPR3 (0.37) GPR3KDM4EMCL1CYP1A2MAPT
SCHEMBL21398967 0.88 ALDH1A1 (0.35) GPR3KDM4EMCL1MAPK1CYP1A2
SCHEMBL21936986 0.86 GPR3 (0.38) GPR3KDM4EMCL1CYP1A2MAPT
SCHEMBL22925347 0.86 GPR3 (0.38) GPR3KDM4EMCL1CYP1A2MAPT
SCHEMBL19801847 0.85 GPR3 (0.48) GPR3KDM4ECYP1A2MAPTALDH1A1

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-20210028370-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREFOR DUK SAN NEOLUX CO., LTD. (KR) 2021-01-28 US disclosed
US-20190296244-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR DUK SAN NEOLUX CO., LTD. (KR) 2019-09-26 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 (2 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-20210028370-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREFOR OR51E2, WEE1, SLC39A11 GPR3 4860/4885KDM4E 1966/4885MCL1 2060/4885
US-20190296244-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR OR51E2, WEE2, WEE1 GPR3 4719/4885KDM4E 1329/4885MCL1 3320/4885

“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.