SCHEMBL3572564

SCHEMBL3572564

O=C(O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)CBr

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GSK3B P49841 1/20 0.45
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
CES1 P23141 2/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
ACE P12821 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL20454423 0.83 CA2 (0.54) CA2KMT2AMEN1LMNANPC1
SCHEMBL18444555 0.83 CA2 (0.54) CA2KMT2AMEN1LMNANPC1
SCHEMBL16079946 0.82 KMT2A (0.46) CA2KMT2AMEN1LMNANPC1
SCHEMBL500869 0.81 PPARG (0.56) CA2KMT2AMEN1LMNAACE
SCHEMBL17083262 0.81 PPARG (0.56) CA2KMT2AMEN1LMNAACE
SCHEMBL468113 0.81 PPARG (0.56) CA2KMT2AMEN1LMNAACE
SCHEMBL19209336 0.81 CA2 (0.52) CA2KMT2AMEN1LMNANPC1
SCHEMBL19209233 0.81 CA2 (0.52) CA2KMT2AMEN1LMNANPC1
SCHEMBL8932072 0.80 MEN1 (0.43) CA2KMT2AMEN1LMNANPC1
SCHEMBL15998089 0.80 CTSL (0.41) CA2KMT2AMEN1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2967066-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Therapeutics Inc. (US) 2016-01-20 EP disclosed
WO-2014145068-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES AERPIO THERAPEUTICS INC. (US) 2014-09-18 WO disclosed
US-20100069448-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2010-03-18 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-20100069448-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C CA2 2212/4885KMT2A 3554/4885MEN1 3881/4885

“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.