SCHEMBL21020602

SCHEMBL21020602

CN(c1ccc(C#N)cc1)c1cccc2c1sc1c(C(F)(F)F)cccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.36
SLC22A12 Q96S37 1/20 0.33
KIF11 P52732 2/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 1/20 0.31
NR1H3 Q13133 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CYP19A1 P11511 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
SCHEMBL21021507 0.89 ABCG2 (0.37) ABCG2KIF11KDM4EALDH1A1GAA
SCHEMBL20650456 0.85 SLC22A12 (0.33) SLC22A12KIF11HDAC6HDAC1USP1
SCHEMBL21020604 0.85 HDAC6 (0.34) KIF11HDAC6HDAC1NR1H3
SCHEMBL21020601 0.85 NR1H2 (0.33) HDAC6HDAC1NR1H3
SCHEMBL21020478 0.85 ENPP1 (0.33) HDAC6HDAC1ALDH1A1
SCHEMBL21020479 0.84 ACP1 (0.36) KIF11HDAC6HDAC1NR1H3ALDH1A1
SCHEMBL21020330 0.84 ABCG2 (0.38) ABCG2KDM4EALDH1A1GAAMAPT
SCHEMBL21020603 0.82 ACP1 (0.32) HDAC6
SCHEMBL21020593 0.82 KDM4E (0.39) ABCG2HDAC6KDM4EALDH1A1GAA
SCHEMBL21021501 0.82 ABCG2 (0.39) ABCG2KDM4EALDH1A1GAAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 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 (1 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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 ABCG2 1596/4885SLC22A12 643/4885KIF11 1480/4885

“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.