SCHEMBL3800698

SCHEMBL3800698

CC(=O)COc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
GBA1 P04062 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PTGDR2 Q9Y5Y4 3/20 0.48
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 2/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
PLA2G4B P0C869 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
SCHEMBL21634471 0.88 NPC1 (0.46) NPC1RAB9AGBA1MAPK1MEN1
SCHEMBL10197528 0.88 NPC1 (0.49) NPC1RAB9AGBA1MAPK1MEN1
SCHEMBL4186418 0.87 MEN1 (0.64) NPC1RAB9AGBA1MAPK1MEN1
SCHEMBL4180130 0.86 MAPT (0.51) NPC1RAB9AGBA1MAPK1MEN1
SCHEMBL15850829 0.84 KDM4E (0.60) NPC1RAB9AMAPK1MEN1KMT2A
SCHEMBL6960 0.83 ALDH1A1 (0.56) NPC1RAB9AGBA1MAPK1MEN1
SCHEMBL3039038 0.81 LMNA (0.51) NPC1RAB9AMAPK1MEN1KMT2A
SCHEMBL1068743 0.80 SMN1; SMN2 (0.50) RAB9AMEN1KMT2AALDH1A1HTT
SCHEMBL21634492 0.79 MAPK1 (0.45) NPC1RAB9AGBA1MAPK1MEN1
SCHEMBL21634493 0.79 MAPK1 (0.45) NPC1RAB9AGBA1MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023119098-A1 PROTEIN KINASE C THETA INHIBITORS Galderma Holding SA (CH) 2023-06-29 WO disclosed
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same SILICON VALLEY BANK 2017-11-09 US disclosed
US-9573962-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-02-21 US disclosed
US-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2015-10-01 US disclosed
US-9023843-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-05-05 US disclosed
US-20120202792-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
WO-2010128152-A1 FUSED HETEROCYCLIC C-GLYCOSIDES FOR THE TREATMENT OF DIABETES NOVARTIS AG (CH) 2010-11-11 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-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME LPO, MPO, CAT NPC1 1007/4885RAB9A 3199/4885GBA1 1234/4885
US-20120202792-A1 Antimicrobial Compounds and Methods of Making and Using the Same LPO, MPO, CAT NPC1 1007/4885RAB9A 3199/4885GBA1 1234/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT NPC1 1007/4885RAB9A 3199/4885GBA1 1234/4885

“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.