SCHEMBL19219767

SCHEMBL19219767

C=C(C)N1CCc2cc(Br)c(S(=O)(=O)N3CCc4ccccc43)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
PKM P14618 2/20 0.46
JAK2 O60674 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.44
USP2 O75604 1/20 0.44
ACLY P53396 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43

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
SCHEMBL17545083 0.90 GAA (0.69) GAAALDH1A1SMN1; SMN2TSHRL3MBTL1
SCHEMBL19219755 0.80 NPSR1 (0.52) SMN1; SMN2TSHRL3MBTL1MAPTMAPK1
SCHEMBL19219762 0.78 ACLY (0.57) ACLYTP53
SCHEMBL19219772 0.74 ACLY (0.51) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL11307310 0.73 NOTUM (0.68) GAAALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL19219770 0.72 ACLY (0.49) ALDH1A1ACLYLMNATP53
SCHEMBL6348605 0.72 AKR1C3 (0.65) GAASMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL5332602 0.71 ACLY (0.53) MEN1KMT2AMAPK1ACLYLMNA
SCHEMBL19219761 0.70 XIAP (0.45) GAAALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL19219768 0.70 ACLY (0.44) ALDH1A1MEN1KMT2AMAPTUSP2

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 GAA 682/4885ALDH1A1 1200/4885SMN1; SMN2 1800/4885

“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.