SCHEMBL2290573

SCHEMBL2290573

O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cc(Br)c(CBr)cc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA9 Q16790 6/20 0.41
CA12 O43570 5/20 0.41
CA14 Q9ULX7 4/20 0.41
CA7 P43166 3/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA13 Q8N1Q1 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
HTR2A P28223 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HSP90AA1 P07900 1/20 0.40
MAOA P21397 1/20 0.39
CYP19A1 P11511 4/20 0.38
MAPT P10636 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
SCHEMBL2287963 0.83 MAOA (0.48) CA1CA2CA9CA12CA14
SCHEMBL2293006 0.82 KMT2A (0.43) ALDH1A1MAPTHTT
SCHEMBL2287457 0.79 ALPL (0.44) CA1CA2CA9CA12CA7
SCHEMBL532452 0.74 PTPRC (0.46) CA1CA2CA9CA12CA14
SCHEMBL30279963 0.74 PTPRC (0.46) CA1CA2CA9CA12CA14
SCHEMBL27778232 0.73 MAOA (0.46) CA1CA2CA9CA12CA14
SCHEMBL30468473 0.71 CYP1A2 (0.45) ALDH1A1
SCHEMBL3379806 0.71 CYP1A2 (0.45) ALDH1A1
SCHEMBL927603 0.71 ALDH1A1 (0.57) CA1CA2CA9CA12CA14
SCHEMBL2293507 0.71 HTR2A (0.37) CA1CA2CA9CA12HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2149545-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-10-05 EP disclosed
US-7994367-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
EP-2149545-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-03 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 (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-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 CA1 624/4885CA2 292/4885CA9 1498/4885

“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.