SCHEMBL21020306

SCHEMBL21020306

CCc1cccc2c1sc1c(N(C)c3ccc(C4CCCCC4)cc3)cccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PTPN2 P17706 2/20 0.34
PTPN1 P18031 2/20 0.34
STAT3 P40763 2/20 0.34
PTPRS Q13332 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
METAP2 P50579 3/20 0.31
MEN1 O00255 1/20 0.31
BCHE P06276 1/20 0.30
C5AR1 P21730 1/20 0.30
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
HTT P42858 1/20 0.30
METAP1 P53582 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL20650835 0.88 KMT2A (0.33) KMT2ALMNASMN1; SMN2PTPN2PTPN1
SCHEMBL21021494 0.85 LMNA (0.33) KMT2ALMNASMN1; SMN2PTPN2PTPN1
SCHEMBL20650754 0.85 LMNA (0.33) KMT2ALMNASMN1; SMN2PTPN2PTPN1
SCHEMBL21020327 0.84 LMNA (0.33) KMT2ALMNASMN1; SMN2PTPN2PTPN1
SCHEMBL21021483 0.83 HTR1D (0.34) KMT2ALMNASMN1; SMN2METAP2BCHE
SCHEMBL20650800 0.82 KMT2A (0.33) KMT2ALMNASMN1; SMN2PTPN2PTPN1
SCHEMBL21020454 0.82 LMNA (0.32) KMT2ALMNASMN1; SMN2PTPN2PTPN1
SCHEMBL21020333 0.82 PTPN2 (0.32) KMT2ALMNASMN1; SMN2PTPN2PTPN1
SCHEMBL21021059 0.82 LMNA (0.32) KMT2ALMNASMN1; SMN2PTPN2PTPN1
SCHEMBL21020304 0.80 MAPT (0.34) KMT2AMEN1MAPT

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 KMT2A 280/4885LMNA 3923/4885SMN1; SMN2 1116/4885

“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.