SCHEMBL5430282

SCHEMBL5430282

NC(=O)c1c(F)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
ERN1 O75460 1/20 0.41
PARP1 P09874 1/20 0.38
GPR35 Q9HC97 1/20 0.38
CYP3A4 P08684 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 3/20 0.36
HIF1A Q16665 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
S100A4 P26447 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36

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
SCHEMBL16636901 0.85 CA1 (0.47) ALDH1A1LMNAERN1GPR35TDP1
SCHEMBL29042944 0.83 ERN1 (0.41) ALDH1A1ERN1GPR35TDP1ATM
SCHEMBL1317647 0.80 DGAT1 (0.55) DGAT1ALDH1A1LMNAPARP1SMN1; SMN2
SCHEMBL11901129 0.80 ALDH1A1 (0.40) ALDH1A1LMNAERN1PARP1GPR35
SCHEMBL240605 0.77 ALDH1A1 (0.48) ALDH1A1LMNAERN1CYP3A4TDP1
SCHEMBL17042095 0.75 KDM4E (0.41) DGAT1ALDH1A1LMNAPARP1CYP3A4
SCHEMBL752254 0.75 ERN1 (0.59) ALDH1A1ERN1GPR35TDP1MAPT
SCHEMBL29674743 0.75 ERN1 (0.59) ALDH1A1ERN1GPR35TDP1MAPT
SCHEMBL27731012 0.75 DGAT1 (0.45) DGAT1ALDH1A1LMNAPARP1GPR35
SCHEMBL4047607 0.74 DGAT1 (0.50) DGAT1ALDH1A1ERN1PARP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265345-A1 Novel Biphenyl Compounds And Their Use SMITHKLINE BEECHAM CORPORATION (US) 2007-11-15 US disclosed
EP-1778214-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 EP disclosed
WO-2006020358-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 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-20070265345-A1 Novel Biphenyl Compounds And Their Use KIF5B, KIF5C, KIF5A DGAT1 4287/4885ALDH1A1 1524/4885LMNA 3656/4885

“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.