SCHEMBL19219772

SCHEMBL19219772

C=C(C)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccccn3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.51
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
P2RY4 P51582 2/20 0.41
TRIM24 O15164 2/20 0.41
BRD4 O60885 3/20 0.40
HPGD P15428 2/20 0.40
XIAP P98170 1/20 0.39
BIRC2 Q13490 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
CASP1 P29466 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL17545354 0.91 ACLY (0.61) ACLYMEN1KMT2AP2RY4TRIM24
SCHEMBL19219758 0.88 KDM4E (0.46) ACLYMEN1KMT2ATRIM24BRD4
SCHEMBL19219770 0.88 ACLY (0.49) ACLYP2RY4TRIM24XIAPBIRC2
SCHEMBL19219764 0.86 ACLY (0.44) ACLYP2RY4TRIM24XIAPBIRC2
SCHEMBL19219762 0.84 ACLY (0.57) ACLYP2RY4TRIM24XIAPBIRC2
SCHEMBL19219768 0.80 ACLY (0.44) ACLYMEN1KMT2AP2RY4XIAP
SCHEMBL17545074 0.79 KMT2A (0.52) ACLYMEN1KMT2ATRIM24HPGD
SCHEMBL17545337 0.78 ACLY (0.60) ACLYKMT2AP2RY4TRIM24HPGD
SCHEMBL17545287 0.77 ACLY (0.54) ACLYKMT2AP2RY4TRIM24HPGD
SCHEMBL17545068 0.76 NPC1 (0.64) MEN1KMT2AALDH1A1RXFP1LMNA

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-20170226090-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2017-08-10 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-20170226090-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME INMT, MGAM, NNMT ACLY 1668/4885MEN1 1541/4885KMT2A 1720/4885

“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.