SCHEMBL21788083

SCHEMBL21788083

CNc1ccc(COC(=O)NC(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.51
TOP2B Q02880 2/20 0.51
TPSAB1 Q15661 2/20 0.48
PLG P00747 1/20 0.48
PRSS1 P07477 1/20 0.48
ATM Q13315 2/20 0.46
CYP3A4 P08684 3/20 0.44
TSHR P16473 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
CTSK P43235 2/20 0.44
ELANE P08246 2/20 0.43
PRTN3 P24158 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTRB1 P17538 2/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42

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
SCHEMBL21788135 0.87 TOP2A (0.51) TOP2ATOP2BTPSAB1PLGPRSS1
SCHEMBL13590480 0.85 TOP2A (0.54) TOP2ATOP2BTPSAB1PLGPRSS1
SCHEMBL25062103 0.84 TOP2A (0.49) TOP2ATOP2BTPSAB1PLGPRSS1
SCHEMBL23417831 0.84 MEN1 (0.60) TOP2ATOP2BTPSAB1PLGPRSS1
SCHEMBL22394067 0.83 MEN1 (0.53) TOP2ATOP2BTPSAB1PLGPRSS1
SCHEMBL20160133 0.83 TOP2A (0.49) TOP2ATOP2BCYP3A4MEN1KMT2A
SCHEMBL21202189 0.82 TOP2A (0.52) TOP2ATOP2BTPSAB1PLGPRSS1
SCHEMBL308291 0.81 ATM (0.64) TOP2ATOP2BATMCYP3A4TSHR
SCHEMBL10255243 0.81 APP (0.44) TPSAB1PLGPRSS1CYP3A4MEN1
SCHEMBL25823048 0.81 ALDH1A1 (0.46) TOP2ATOP2BCYP3A4MEN1KMT2A

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-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-03-05 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-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 TOP2A 46/4885TOP2B 45/4885TPSAB1 982/4885

“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.