SCHEMBL2367787

SCHEMBL2367787

Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2NS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 4/20 0.60
POLB P06746 2/20 0.58
PKM P14618 1/20 0.58
CRHBP P24387 3/20 0.55
CRHR2 Q13324 3/20 0.55
HSP90AA1 P07900 2/20 0.55
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NOD2 Q9HC29 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54

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
SCHEMBL5955952 0.90 MAPT (0.55) MAPTTDP1ALDH1A1POLBPKM
SCHEMBL5956066 0.90 LMNA (0.57) MAPTTDP1ALDH1A1POLBPKM
SCHEMBL14877793 0.89 MAPT (0.67) MAPTTDP1ALDH1A1POLBPKM
SCHEMBL5955541 0.85 MAPT (0.51) MAPTTDP1ALDH1A1POLBPKM
SCHEMBL5956207 0.85 LMNA (0.63) MAPTTDP1ALDH1A1POLBPKM
SCHEMBL6151145 0.84 ALDH1A1 (0.55) MAPTTDP1ALDH1A1POLBPKM
SCHEMBL2004978 0.84 MAPT (0.67) MAPTTDP1ALDH1A1POLBPKM
SCHEMBL17103729 0.83 MAPT (0.52) MAPTTDP1ALDH1A1POLBPKM
SCHEMBL6368961 0.83 CRHBP (0.68) MAPTTDP1ALDH1A1POLBPKM
SCHEMBL9498095 0.82 MAPT (0.54) MAPTTDP1ALDH1A1POLBPKM

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-2513126-B1 BIMETALLIC COMPLEXES AND THEIR USE IN THE PREPARATION OF DIARYLCARBONATE BAYER IP GMBH (DE) 2015-07-29 EP disclosed
US-8987446-B2 Bimetallic complexes and the use thereof in producing diaryl carbonate BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-20130018186-A1 BIMETALLIC COMPLEXES AND THE USE THEREOF IN PRODUCING DIARYL CARBONATE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-17 US disclosed
EP-2368885-A1 Derivatives of phenazine useful to treat cancer Université de la Méditerranée (Aix-Marseille II) (FR) 2011-09-28 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-20130018186-A1 BIMETALLIC COMPLEXES AND THE USE THEREOF IN PRODUCING DIARYL CARBONATE SOD1, BMI1, SCO2 MAPT 1803/4885TDP1 4111/4885ALDH1A1 308/4885

“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.