SCHEMBL20172928

SCHEMBL20172928

CN(c1ccccc1C#N)c1cccc2c1sc1c(C3CCCCC3)cccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
PROKR1 Q8TCW9 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
DRD4 P21917 1/20 0.31
MCOLN3 Q8TDD5 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
SCHEMBL20172902 0.91 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL20172930 0.87 HTR1A (0.35) KDM4EALDH1A1HTR1AHTR7
SCHEMBL20649866 0.86 PDCD1 (0.32) SLC6A4SLC6A2SLC6A3PDCD1CD274
SCHEMBL20172926 0.83 LMNA (0.35) HTR1AHTR7
SCHEMBL21020319 0.83 MCOLN3 (0.34) SLC6A4SLC6A2SLC6A3HTR1AHTR7
SCHEMBL21982468 0.83 PTGS2 (0.33) HTR1AHTR7
SCHEMBL20172933 0.82 MEN1 (0.34) SLC6A4KDM4EGAAHTR1AHTR7
SCHEMBL21021495 0.82 HTR1A (0.36) KDM4EALDH1A1HTR1AHTR7
SCHEMBL20172896 0.81 ALDH1A1 (0.43) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL20172924 0.81 ADRA2A (0.34) HTR1AHTR7

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 5 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
EP-3351523-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG Chem, Ltd. (KR) 2018-07-25 EP 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 SLC6A4 3332/4885SLC6A2 3488/4885SLC6A3 2726/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 SLC6A4 874/4885SLC6A2 852/4885SLC6A3 1404/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 SLC6A4 3332/4885SLC6A2 3488/4885SLC6A3 2726/4885

“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.