SCHEMBL4267066

SCHEMBL4267066

O=[N+]([O-])c1cc(CBr)ccc1CBr

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.44
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CXCR4 P61073 1/20 0.38
PDK1 Q15118 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.34
CYP3A4 P08684 1/20 0.34
KAT2B Q92831 1/20 0.34

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
SCHEMBL11394570 0.87 LOXL2 (0.47) SNCAPOLBCYP1A2ALOX15ALOX12
SCHEMBL3890238 0.86 POLB (0.49) SNCAPOLBCYP1A2SMN1; SMN2ALOX15
SCHEMBL26979837 0.85 TSHR (0.40) SNCAPOLBSMN1; SMN2ALOX15ALOX12
SCHEMBL1117240 0.84 TSHR (0.50) SNCAPOLBCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL28114907 0.83 CYP1A2 (0.56) SNCAPOLBCYP1A2PDK1ALDH1A1
SCHEMBL14713516 0.82 TDP1 (0.52) SNCAPOLBCYP1A2ALOX15ALOX12
SCHEMBL30385788 0.81 ALDH1A1 (0.47) SNCAPOLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL29561732 0.81 S100A4 (0.46) SNCACYP1A2ALOX15ALOX12PDK1
SCHEMBL136817 0.81 CYP1A2 (0.62) CYP1A2SMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL3073523 0.81 ALDH1A1 (0.47) SNCAPOLBSMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820124-A Method for generating 4-trifluoromethyl aniline based on microchannel reaction 盐城师范学院 2024-04-05 CN disclosed
US-20090042235-A1 PHOTOREGULATED PEPTIDE, AND METHOD FOR REGULATION OF PEPTIDE-PROTEIN COMPLEX FORMATION USING THE PHOTOREGULATED PEPTIDE SHIMADZU CORPORATION (JP) 2009-02-12 US disclosed
US-20090042235-A1 PHOTOREGULATED PEPTIDE, AND METHOD FOR REGULATION OF PEPTIDE-PROTEIN COMPLEX FORMATION USING THE PHOTOREGULATED PEPTIDE SHIMADZU CORPORATION (JP) 2009-02-12 US disclosed
US-20090042235-A1 PHOTOREGULATED PEPTIDE, AND METHOD FOR REGULATION OF PEPTIDE-PROTEIN COMPLEX FORMATION USING THE PHOTOREGULATED PEPTIDE SHIMADZU CORPORATION (JP) 2009-02-12 US disclosed
US-7029655-B2 Magnetic resonance imaging agents for in vivo labeling and detection of amyloid deposits CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-04-18 US disclosed
WO-2002028441-A9 MAGNETIC RESONANCE IMAGING AGENTS FOR IN VIVO LABELING AND DETECTION OF AMYLOID DEPOSITS CALIFORNIA INST OF TECHN (US) 2003-02-20 WO disclosed
US-20020098153-A1 Magnetic resonance imaging agents for in vivo labeling and detection of amyloid deposits CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-07-25 US disclosed
WO-2002028441-A2 MAGNETIC RESONANCE IMAGING AGENTS FOR IN VIVO LABELING AND DETECTION OF AMYLOID DEPOSITS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-04-11 WO disclosed
US-5100985-A 1,4-bis(4-arylbutadienyl) benzenes exhibiting nonlinear optical response HOECHST CELANESE CORP. (US) 1992-03-31 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 (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-20090042235-A1 PHOTOREGULATED PEPTIDE, AND METHOD FOR REGULATION OF PEPTIDE-PROTEIN COMPLEX FORMATION USING THE PHOTOREGULATED PEPTIDE PTMS, DCLRE1A, CLTA SNCA 4722/4885POLB 3641/4885CYP1A2 4843/4885

“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.