SCHEMBL21020600

SCHEMBL21020600

Cc1ccc(N(C)c2cccc3c2sc2c(C#N)cccc23)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
BRCA1 P38398 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE10A Q9Y233 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL20172904 0.87 TSHR (0.42) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL20650344 0.86 ALDH1A1 (0.36) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL21021500 0.84 CYP1A2 (0.38) ALDH1A1GAAMAPT
SCHEMBL21020468 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL20172896 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL23967806 0.81 CYP1A2 (0.32) KDM4EMAPT
SCHEMBL20172879 0.79 TSHR (0.42) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL21020590 0.79 MAPT (0.38) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL21020311 0.79 MEN1 (0.36) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL21020588 0.79 LMNA (0.33) MAPTMEN1KMT2ASLC6A2

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 ALDH1A1 1103/4885KDM4E 517/4885GAA 2197/4885

“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.