SCHEMBL20172933

SCHEMBL20172933

CN(c1ccccc1F)c1cccc2c1sc1c(C3CCCCC3)cccc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SLC6A4 P31645 1/20 0.32
PTGS2 P35354 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
OPRL1 P41146 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HTR1D P28221 2/20 0.30
HTR1B P28222 2/20 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
SCHEMBL20172894 0.90 SLC6A4 (0.32) MEN1KMT2ASLC6A4PTGS2HTR1A
SCHEMBL20172930 0.90 HTR1A (0.35) MEN1KMT2APTGS2HTR1AHTR7
SCHEMBL20172926 0.86 LMNA (0.35) MEN1KMT2APTGS2HTR1AHTR7
SCHEMBL20649862 0.85 KDM4E (0.31) MEN1KMT2AKDM4EGAAOPRL1
SCHEMBL21021495 0.85 HTR1A (0.36) MEN1KMT2APTGS2HTR1AHTR7
SCHEMBL20172931 0.85 HTR2C (0.36) SLC6A4PTGS2HTR1AHTR7GAA
SCHEMBL21020320 0.84 HTR1A (0.32) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL21982468 0.83 PTGS2 (0.33) KMT2APTGS2HTR1AHTR7
SCHEMBL20172924 0.83 ADRA2A (0.34) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL20172929 0.83 ADRA2A (0.32) HTR1AHTR7ADRA2AADRA2BADRA2C

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 MEN1 801/4885KMT2A 517/4885SLC6A4 3332/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 MEN1 565/4885KMT2A 280/4885SLC6A4 874/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 MEN1 801/4885KMT2A 517/4885SLC6A4 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.