SCHEMBL6338253

SCHEMBL6338253

O=C(c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
SRD5A2 P31213 2/20 0.57
POLB P06746 2/20 0.57
MAPK1 P28482 1/20 0.57
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
CES1 P23141 4/20 0.53
CES2 O00748 3/20 0.53
ABCC9 O60706 1/20 0.49
ABCC8 Q09428 1/20 0.49
KCNJ11 Q14654 1/20 0.49
KCNJ8 Q15842 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALOX5 P09917 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL3234327 0.85 CES2 (0.68) TDP1ALDH1A1MAPTSRD5A2POLB
SCHEMBL7785000 0.84 CES2 (0.62) ALDH1A1MAPTPOLBMAPK1LMNA
SCHEMBL8962651 0.83 CES2 (0.66) TDP1ALDH1A1MAPTSRD5A2POLB
SCHEMBL1642912 0.83 SRD5A2 (0.69) TDP1ALDH1A1MAPTSRD5A2POLB
Benzophenone SCHEMBL28231509 0.81 POLB (0.82) TDP1ALDH1A1MAPTSRD5A2POLB
SCHEMBL229627 0.81 POLB (0.82) TDP1ALDH1A1MAPTSRD5A2POLB
SCHEMBL3038873 0.81 CES2 (0.63) TDP1ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL975118 0.80 SRD5A2 (0.83) TDP1ALDH1A1MAPTSRD5A2POLB
SCHEMBL10723714 0.80 SRD5A2 (0.83) TDP1ALDH1A1MAPTSRD5A2POLB
SCHEMBL1258944 0.80 CES2 (0.74) TDP1POLBL3MBTL1CES1CES2

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
CN-1901910-A Substituted piperidine compounds for the treatment of metabolic syndrome ASTRAZENECA AB (SE) 2007-01-24 CN claimed
CN-1901910-A Substituted piperidine compounds for the treatment of metabolic syndrome ASTRAZENECA AB (SE) 2007-01-24 CN disclosed
US-20050014788-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) ASTRAZENECA AB (SE) 2005-01-20 US disclosed
EP-1448524-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) AstraZeneca AB (SE) 2004-08-25 EP disclosed
WO-2003042177-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) ASTRAZENECA AB (SE) 2003-05-22 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-20050014788-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) CCR5, CCR2, CCL2 TDP1 4439/4885ALDH1A1 954/4885MAPT 3954/4885

“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.