SCHEMBL632452

SCHEMBL632452

O=[N+]([O-])/C(Cl)=C\c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 1.00
PRMT1 Q99873 1/20 0.58
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL632453 1.00 FBP1 (1.00) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL632451 1.00 FBP1 (1.00) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL28488527 0.80 FBP1 (0.70) FBP1ALDH1A1
SCHEMBL28485590 0.80 FBP1 (0.70) FBP1ALDH1A1
SCHEMBL13983962 0.80 FBP1 (0.70) FBP1ALDH1A1
SCHEMBL630964 0.80 FBP1 (1.00) FBP1ALDH1A1AKR1C3
SCHEMBL630963 0.80 FBP1 (1.00) FBP1ALDH1A1AKR1C3
SCHEMBL525207 0.80 FBP1 (1.00) FBP1ALDH1A1AKR1C3
SCHEMBL30295762 0.80 FBP1 (1.00) FBP1ALDH1A1AKR1C3
SCHEMBL6912556 0.79 FBP1 (0.65) FBP1PRMT1AKR1C3AKR1C1

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
EP-2419094-B1 Compounds for the treatment of mitochondrial diseases CENTRE NAT RECH SCIENT (FR) 2016-06-08 EP disclosed
US-9315482-B2 Derivatives useful as antiviral agents INSTITUT PASTEUR (FR) 2016-04-19 US disclosed
US-20130210886-A1 Novel Derivatives Useful as Antiviral Agents INSTITUT PASTEUR (FR) 2013-08-15 US disclosed
US-20120329834-A1 COMPOUNDS FOR THE TREATMENT OF MITOCHONDRIAL DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-12-27 US disclosed
EP-2420495-A1 Novel derivatives useful as antiviral agents Institut Pasteur (FR) 2012-02-22 EP disclosed
EP-2243476-A1 Compounds for the treatment of mitochondrial diseases Centre National de la Recherche Scientifique (FR) 2010-10-27 EP 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-20130210886-A1 Novel Derivatives Useful as Antiviral Agents MAVS, IRF3, IFNAR1 FBP1 1867/4885PRMT1 219/4885ALDH1A1 1663/4885
US-20120329834-A1 COMPOUNDS FOR THE TREATMENT OF MITOCHONDRIAL DISEASES PC, CS, COQ8A FBP1 494/4885PRMT1 1474/4885ALDH1A1 1087/4885

“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.