SCHEMBL525207

SCHEMBL525207

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 10/20 1.00
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
RAB9A P51151 1/20 0.44
CHRM5 P08912 1/20 0.43
AKR1C3 P42330 1/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.42
GFER P55789 1/20 0.42
MAOB P27338 1/20 0.41
TRPV1 Q8NER1 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
SCHEMBL630963 1.00 FBP1 (1.00) FBP1CYP1A2CYP2C9ALDH1A1TDP1
SCHEMBL630964 1.00 FBP1 (1.00) FBP1CYP1A2CYP2C9ALDH1A1TDP1
SCHEMBL30295762 1.00 FBP1 (1.00) FBP1CYP1A2CYP2C9ALDH1A1TDP1
SCHEMBL1237402 0.82 FBP1 (0.69) FBP1ALDH1A1KDM4EPOLB
SCHEMBL1237403 0.82 FBP1 (0.69) FBP1ALDH1A1KDM4EPOLB
SCHEMBL8628810 0.81 FBP1 (0.69) FBP1CYP1A2CYP2C9ALDH1A1TDP1
SCHEMBL8628812 0.81 FBP1 (0.69) FBP1CYP1A2CYP2C9ALDH1A1TDP1
SCHEMBL1237309 0.81 FBP1 (0.69) FBP1CYP1A2ALDH1A1TDP1NPC1
SCHEMBL1237311 0.81 FBP1 (0.69) FBP1CYP1A2ALDH1A1TDP1NPC1
SCHEMBL28479114 0.81 FBP1 (0.69) FBP1CYP1A2NPC1RAB9ACHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2598495-A1 NOVEL DERIVATIVES USEFUL AS ANTIVIRAL AGENTS Institut Pasteur (FR) 2013-06-05 EP disclosed
EP-2420495-A1 Novel derivatives useful as antiviral agents Institut Pasteur (FR) 2012-02-22 EP disclosed
WO-2012014181-A1 NOVEL DERIVATIVES USEFUL AS ANTIVIRAL AGENTS INSTITUT PASTEUR (FR) 2012-02-02 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 (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-20130210886-A1 Novel Derivatives Useful as Antiviral Agents MAVS, IRF3, IFNAR1 FBP1 1867/4885CYP1A2 1951/4885CYP2C9 3701/4885

“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.