SCHEMBL20172896

SCHEMBL20172896

CN(c1ccccc1C#N)c1cccc2c1sc1c(C#N)cccc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PDE10A Q9Y233 1/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
IMPDH2 P12268 3/20 0.32
IMPDH1 P20839 2/20 0.32
SLC22A12 Q96S37 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
SCHEMBL20172879 0.90 TSHR (0.42) ALDH1A1KDM4EGAAMAPTCA1
SCHEMBL20172904 0.90 TSHR (0.42) ALDH1A1KDM4EGAAMAPTCA1
SCHEMBL20172897 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMAPTCA1
SCHEMBL20172892 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMAPTCA1
SCHEMBL20172872 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EGAAMAPTCA1
SCHEMBL21020467 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EGAAMAPTCA1
SCHEMBL20172908 0.86 ALDH1A1 (0.38) ALDH1A1KDM4EGAAMAPTCA1
SCHEMBL20172898 0.86 ALDH1A1 (0.38) ALDH1A1KDM4EGAAMAPTCA1
SCHEMBL20172938 0.86 ALDH1A1 (0.38) ALDH1A1KDM4EGAAMAPTCA1
SCHEMBL21020014 0.86 ALDH1A1 (0.38) ALDH1A1KDM4EGAAMAPTCA1

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 ALDH1A1 87/4885KDM4E 1258/4885GAA 1305/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 ALDH1A1 1103/4885KDM4E 517/4885GAA 2197/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ALDH1A1 87/4885KDM4E 1258/4885GAA 1305/4885

“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.