SCHEMBL19219764

SCHEMBL19219764

C=C(C)N1CCc2cc(Br)c(S(=O)(=O)Nc3cnccn3)cc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.44
P2RY4 P51582 2/20 0.41
ACHE P22303 1/20 0.40
XIAP P98170 2/20 0.39
BIRC2 Q13490 2/20 0.39
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
EDNRA P25101 1/20 0.36
CYP11B2 P19099 2/20 0.35
TRIM24 O15164 3/20 0.35
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL17545287 0.91 ACLY (0.54) ACLYP2RY4ACHEXIAPBIRC2
SCHEMBL19219757 0.88 CYP11B2 (0.41) P2RY4ACHEHTR2AHTR2CEDNRA
SCHEMBL19219772 0.86 ACLY (0.51) ACLYP2RY4XIAPBIRC2TRIM24
SCHEMBL19219770 0.83 ACLY (0.49) ACLYP2RY4XIAPBIRC2HTR2A
SCHEMBL19219768 0.80 ACLY (0.44) ACLYP2RY4XIAPBIRC2
SCHEMBL17545073 0.79 CYP11B2 (0.52) ACLYACHEHTR2AHTR2CCYP11B2
SCHEMBL19219762 0.78 ACLY (0.57) ACLYP2RY4XIAPBIRC2TRIM24
SCHEMBL17545354 0.77 ACLY (0.61) ACLYP2RY4TRIM24NPC1LMNA
SCHEMBL19219758 0.74 KDM4E (0.46) ACLYHTR2AHTR2CTRIM24LMNA
SCHEMBL17545337 0.74 ACLY (0.60) ACLYP2RY4XIAPBIRC2TRIM24

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 1668/4885P2RY4 4620/4885ACHE 322/4885

“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.