SCHEMBL20172870

SCHEMBL20172870

CC(C)c1ccccc1N(C)c1cccc2c1sc1ccccc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
PARP14 Q460N5 1/20 0.35
ALOX5 P09917 1/20 0.35
HRH1 P35367 8/20 0.34
CYP2D6 P10635 7/20 0.34
KCNH2 Q12809 5/20 0.34
MAPT P10636 1/20 0.34
SLC9A1 P19634 1/20 0.34
CHRM1 P11229 4/20 0.32
CYP3A4 P08684 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 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
SCHEMBL20733887 0.87 GPR3 (0.48) GPR3SIGMAR1PARP14ALOX5MAPT
SCHEMBL20172876 0.84 SIGMAR1 (0.35) SIGMAR1CYP3A4ALDH1A1
SCHEMBL20172906 0.83 SIGMAR1 (0.33) SIGMAR1CYP3A4ALDH1A1
SCHEMBL20172886 0.83 SIGMAR1 (0.34) SIGMAR1HRH1CYP2D6KCNH2CHRM1
SCHEMBL1102404 0.81 GPR3 (0.48) GPR3PARP14ALOX5MAPTSLC9A1
SCHEMBL21020005 0.81 SIGMAR1 (0.33) SIGMAR1CYP2D6
SCHEMBL20172936 0.81 SIGMAR1 (0.33) SIGMAR1
SCHEMBL20172866 0.80 GPR3 (0.41) GPR3PARP14ALOX5HRH1CYP2D6
SCHEMBL20172780 0.80 SIGMAR1 (0.45) GPR3SIGMAR1PARP14ALOX5CYP2D6
SCHEMBL21021052 0.80 GPR3 (0.35) GPR3PARP14ALOX5HRH1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (3 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 GPR3 2049/4885SIGMAR1 1467/4885PARP14 3288/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 GPR3 4628/4885SIGMAR1 2480/4885PARP14 4124/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 GPR3 2049/4885SIGMAR1 1467/4885PARP14 3288/4885

“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.