SCHEMBL5619554

SCHEMBL5619554

O=C(C[N+](=O)[O-])c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
ALDH1A1 P00352 5/20 0.48
GLA P06280 2/20 0.48
MAPT P10636 2/20 0.46
GAA P10253 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
RECQL P46063 1/20 0.43
NPC1 O15118 1/20 0.43
MGAM O43451 1/20 0.43
AMY1A P0DUB6 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALOX5 P09917 1/20 0.43
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
C1S P09871 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL9035708 0.81 CES2 (0.55) PARP1MAPTMEN1KMT2ANPC1
SCHEMBL4869301 0.81 CA12 (0.50) PARP1ALDH1A1
SCHEMBL11756446 0.81 TP53 (0.56) MAPTTP53NPC1RAB9A
SCHEMBL1276988 0.80 ALDH1A1 (0.41) ALDH1A1GAAMEN1KMT2A
SCHEMBL28415551 0.79 CES2 (0.66) ALDH1A1MAPTGAATP53MEN1
SCHEMBL1277041 0.79 PARP1 (0.50) PARP1MAPTMEN1KMT2ANPC1
SCHEMBL339923 0.79 ERCC5 (0.58) PARP1ALDH1A1L3MBTL1KMT2AALOX5
SCHEMBL8980284 0.79 PBRM1 (0.49) ALDH1A1MAPTGAATP53MEN1
SCHEMBL105102 0.78 GSK3B (0.55) MAPTMEN1KMT2ANPC1HPGD
SCHEMBL8779987 0.78 ERCC5 (0.61) ALDH1A1MAPTGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108947924-B Preparation method and application of dihydroisoxazole benzophenone derivative and dihydroisoxazole benzophenone derivative 石河子大学 2022-05-10 CN disclosed
CN-102898374-B A kind of preparation method of 1H-indazole analog derivative SHANGHAI BEPHARM CO., LTD. (CN) 2016-03-23 CN disclosed
CN-102898374-A Method for preparing 1H-indazole derivative BEPHARM LTD 2013-01-30 CN disclosed
US-7169797-B2 Protein-tyrosine phosphatase inhibitors and uses thereof ABBOTT LABORATORIES (US) 2007-01-30 US disclosed
US-20040214870-A1 Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; 5-(3-((1E)-3-(3-hydroxy-2-(methoxycarbonyl)phenoxy)prop-1-enyl)phenyl)isoxazole-3-carboxylic acid ABBVIE INC. 2004-10-28 US disclosed
US-20040167188-A1 Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; ABBOTT LABORATORIES 2004-08-26 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 (2 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-20040167188-A1 Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; G6PC1, PPP1R1B, PPP1R7 PARP1 4490/4885ALDH1A1 758/4885GLA 2323/4885
US-20040214870-A1 Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; 5-(3-((1E)-3-(3-hydroxy-2-(methoxycarbonyl)phenoxy)prop-1-enyl)phenyl)isoxazole-3-carboxylic acid G6PC1, PPP1R7, PPP1R1B PARP1 4442/4885ALDH1A1 710/4885GLA 2825/4885

“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.