SCHEMBL1300432

SCHEMBL1300432

Cc1[nH]nc(-c2nc3cc(C(=O)O)ccc3[nH]2)c1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.44
TOP2A P11388 1/20 0.44
PARP1 P09874 3/20 0.44
CHEK1 O14757 1/20 0.44
CHEK2 O96017 3/20 0.43
FLT3 P36888 4/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KMT2A Q03164 1/20 0.40
RET P07949 1/20 0.39
KDR P35968 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
SCHEMBL12106572 0.94 PARP1 (0.44) HDAC4PARP1CHEK1CHEK2FLT3
SCHEMBL1300626 0.91 PARP1 (0.46) HDAC4PARP1CHEK1CHEK2MAPT
SCHEMBL1300817 0.91 MAPT (0.50) HDAC4PARP1CHEK2MAPTNPSR1
SCHEMBL1301024 0.91 PARP1 (0.47) HDAC4PARP1CHEK1CHEK2FLT3
SCHEMBL13849189 0.80 ENPP2 (0.48) CHEK1FLT3MAPTNPSR1KMT2A
SCHEMBL13849193 0.78 FLT3 (0.52) CHEK1FLT3
SCHEMBL31172327 0.77 FLT3 (0.56) CHEK1CHEK2FLT3
SCHEMBL13849215 0.76 FLT3 (0.48) PARP1CHEK1CHEK2FLT3
SCHEMBL13849212 0.76 FLT3 (0.48) TOP2ACHEK1FLT3
SCHEMBL13849192 0.75 FLT3 (0.46) CHEK1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 US disclosed
US-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 US disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 US disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 US disclosed
WO-2011082285-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN AVILA THERAPEUTICS, INC. (US) 2011-07-07 WO 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 (3 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-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP HDAC4 1449/4885TOP2A 3219/4885PARP1 1989/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP HDAC4 1449/4885TOP2A 3219/4885PARP1 1989/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP HDAC4 1449/4885TOP2A 3219/4885PARP1 1989/4885

“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.