SCHEMBL21020599

SCHEMBL21020599

CN(c1ccc(C2CCCCC2)cc1)c1cccc2c1sc1c(C#N)cccc12

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
STAT3 P40763 1/20 0.30
PTPRS Q13332 1/20 0.30
MCOLN3 Q8TDD5 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
SCHEMBL21021494 0.84 LMNA (0.33) KDM4EALDH1A1MAPTLMNAKMT2A
SCHEMBL20650754 0.84 LMNA (0.33) LMNAKMT2ASMN1; SMN2PTPN2PTPN1
SCHEMBL20172902 0.83 SLC6A4 (0.36) KDM4EALDH1A1GAAMAPTSLC6A2
SCHEMBL21020327 0.83 LMNA (0.33) LMNAKMT2ASMN1; SMN2PTPN2PTPN1
SCHEMBL20650800 0.81 KMT2A (0.33) LMNAKMT2ASMN1; SMN2PTPN2PTPN1
SCHEMBL21020454 0.81 LMNA (0.32) ALDH1A1LMNAKMT2ASMN1; SMN2PTPN2
SCHEMBL21020306 0.81 KMT2A (0.34) KDM4EALDH1A1MAPTLMNAKMT2A
SCHEMBL21020333 0.81 PTPN2 (0.32) LMNAKMT2ASMN1; SMN2PTPN2PTPN1
SCHEMBL21020593 0.81 KDM4E (0.39) KDM4EALDH1A1GAAMAPTSLC6A2
SCHEMBL21020468 0.81 ALDH1A1 (0.39) KDM4EALDH1A1GAAMAPTLMNA

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 KDM4E 517/4885ALDH1A1 1103/4885GAA 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.