SCHEMBL20172867

SCHEMBL20172867

CN(c1ccccc1OC(F)(F)F)c1cccc2c1sc1ccccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.33
PARP14 Q460N5 1/20 0.33
ALOX5 P09917 1/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
MAPT P10636 1/20 0.31
HTR6 P50406 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ACP1 P24666 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20172910 0.86 HTR6 (0.32) HTR6KDM4E
SCHEMBL20172882 0.86 SCN9A (0.32) SLC6A3SLC6A2SLC6A4HTR6KDM4E
SCHEMBL20172891 0.86 TRPA1 (0.31) SLC6A3SLC6A2SLC6A4HTR6KDM4E
SCHEMBL20172919 0.85 HSD11B1 (0.36) SLC6A3SLC6A2SLC6A4HTR6KDM4E
SCHEMBL20650799 0.84 GPR3 (0.33) GPR3PARP14ALOX5KDM4E
SCHEMBL20733887 0.83 GPR3 (0.48) GPR3PARP14ALOX5MAPTPIM1
SCHEMBL21021053 0.83 KCNK3 (0.39) ACP1
SCHEMBL21021482 0.83 SLC6A3 (0.36) SLC6A3SLC6A2SLC6A4HTR6KDM4E
SCHEMBL20172943 0.83 EPHX2 (0.32) ACP1SCN9A
SCHEMBL21020589 0.82 ACP1 (0.39) GPR3PARP14SLC6A3SLC6A2SLC6A4

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 2049/4885PARP14 3288/4885ALOX5 695/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 GPR3 4628/4885PARP14 4124/4885ALOX5 2172/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 GPR3 2049/4885PARP14 3288/4885ALOX5 695/4885

“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.