SCHEMBL1333933

SCHEMBL1333933

O=C(O)[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
ALDH1A1 P00352 5/20 0.49
MAPT P10636 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
ITGA4 P13612 2/20 0.48
ITGB7 P26010 2/20 0.48
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
RECQL P46063 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GFER P55789 1/20 0.46
PPARG P37231 1/20 0.46

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
SCHEMBL1333936 1.00 CRHBP (0.56) CRHBPCRHR2ALDH1A1MAPTMEN1
SCHEMBL26934239 0.92 CRHBP (0.51) CRHBPCRHR2ALDH1A1MAPTMEN1
SCHEMBL26934235 0.92 CRHBP (0.51) CRHBPCRHR2ALDH1A1MAPTMEN1
SCHEMBL26934219 0.89 CRHBP (0.50) CRHBPCRHR2ALDH1A1MAPTMEN1
SCHEMBL12131959 0.88 CRHBP (0.55) CRHBPCRHR2MAPTMEN1KMT2A
SCHEMBL26934208 0.87 CRHBP (0.54) CRHBPCRHR2ALDH1A1MAPTMEN1
SCHEMBL26934214 0.87 CRHBP (0.54) CRHBPCRHR2ALDH1A1MAPTMEN1
SCHEMBL26934201 0.87 CRHBP (0.54) CRHBPCRHR2ALDH1A1MAPTMEN1
SCHEMBL26934216 0.87 CRHBP (0.54) CRHBPCRHR2ALDH1A1MAPTMEN1
SCHEMBL7670674 0.86 APP (0.54) ALDH1A1MAPTGAARAB9ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558446-B1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2019-06-12 EP disclosed
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE SA (CH) 2016-06-09 US disclosed
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE SA (CH) 2016-06-09 US disclosed
US-9221812-B2 Compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2015-12-29 US disclosed
US-9221812-B2 Compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2015-12-29 US disclosed
CN-102939282-B Compounds for the treatment of diseases related to amyloid or amyloid-like proteins AC IMMUNE S.A. (CH) 2015-12-02 CN disclosed
EP-2558446-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC Immune S.A. (CH) 2013-02-20 EP disclosed
CN-102939282-A Novel compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA 2013-02-20 CN disclosed
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE, S.A. (CH) 2011-11-17 US disclosed
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE, S.A. (CH) 2011-11-17 US disclosed
WO-2011128455-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE S.A. (CH) 2011-10-20 WO disclosed
WO-2011128455-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE S.A. (CH) 2011-10-20 WO disclosed
US-3996268-A CARBONYL-BIS (L-METHIONINE P-NITROPHENYL ESTER) AND DERIVATIVES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1976-12-07 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-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 CRHBP 1697/4885CRHR2 3680/4885ALDH1A1 3432/4885
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 CRHBP 1697/4885CRHR2 3680/4885ALDH1A1 3432/4885

“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.