SCHEMBL20172882

SCHEMBL20172882

Cc1cccc2c1sc1c(N(C)c3ccccc3OC(F)(F)F)cccc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HTR6 P50406 1/20 0.31
S1PR1 P21453 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ACP1 P24666 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
SCHEMBL20172891 0.87 TRPA1 (0.31) SLC6A2SLC6A4SLC6A3HTR6KDM4E
SCHEMBL20650373 0.86 SCN9A (0.31) SCN9AS1PR1
SCHEMBL20172919 0.86 HSD11B1 (0.36) SLC6A2SLC6A4SLC6A3HTR6S1PR1
SCHEMBL20172867 0.86 GPR3 (0.33) SCN9ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL20172910 0.85 HTR6 (0.32) HTR6KDM4E
SCHEMBL20172943 0.84 EPHX2 (0.32) SCN9AACP1
SCHEMBL21021053 0.84 KCNK3 (0.39) ACP1
SCHEMBL21021482 0.84 SLC6A3 (0.36) SCN9ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL20172901 0.83 KDM4E (0.35) KDM4E
SCHEMBL21021497 0.81 DHFR (0.37) SLC6A2SLC6A4SLC6A3ACP1

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 SCN9A 3097/4885SLC6A2 3488/4885SLC6A4 3332/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 SCN9A 1557/4885SLC6A2 852/4885SLC6A4 874/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 SCN9A 3097/4885SLC6A2 3488/4885SLC6A4 3332/4885

“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.