SCHEMBL21151887

SCHEMBL21151887

CNC(=O)OCc1ccc(NCl)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.47
TOP2B Q02880 3/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TPSAB1 Q15661 2/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
GAA P10253 2/20 0.40
NAMPT P43490 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL20160133 0.86 TOP2A (0.49) TOP2ATOP2BKMT2AMEN1SMN1; SMN2
SCHEMBL25884924 0.83 TOP2A (0.47) TOP2ATOP2BKMT2AMEN1SMN1; SMN2
SCHEMBL25884564 0.83 TOP2A (0.47) TOP2ATOP2BKMT2AMEN1SMN1; SMN2
SCHEMBL13632263 0.82 GAA (0.55) TOP2ATOP2BKMT2AMEN1SMN1; SMN2
SCHEMBL25829161 0.82 KMT2A (0.59) KMT2AMEN1SMN1; SMN2L3MBTL1MAPT
SCHEMBL452919 0.82 MEN1 (0.55) TOP2ATOP2BKMT2AMEN1ALDH1A1
SCHEMBL19513381 0.81 MEN1 (0.58) TOP2ATOP2BKMT2AMEN1SMN1; SMN2
SCHEMBL12898184 0.80 NAAA (0.54) TOP2ATOP2BMAPTALDH1A1RAB9A
SCHEMBL18232048 0.80 NAAA (0.54) TOP2ATOP2BKMT2AMEN1SMN1; SMN2
SCHEMBL1936309 0.80 TOP2A (0.50) TOP2ATOP2BKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254705-B2 Cyclic peptide analogs and conjugates thereof SIRENAS LLC (US) 2022-02-22 US disclosed
US-20190211060-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF SIRENAS LLC (US) 2019-07-11 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 (2 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-20190211060-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF VIP, NGLY1, GRPR TOP2A 539/4885TOP2B 562/4885KMT2A 4259/4885
US-11254705-B2 Cyclic peptide analogs and conjugates thereof VIP, NGLY1, GRPR TOP2A 539/4885TOP2B 562/4885KMT2A 4259/4885

“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.