SCHEMBL4930639

SCHEMBL4930639

O=[N+]([O-])c1ccc(Cl)cc1Nc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.62
MAPK1 P28482 6/20 0.55
TSHR P16473 1/20 0.55
MERTK Q12866 1/20 0.51
MAPT P10636 8/20 0.50
TDP1 Q9NUW8 3/20 0.50
ALDH1A1 P00352 3/20 0.50
PKM P14618 2/20 0.50
CASP7 P55210 1/20 0.50
EPAS1 Q99814 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 1/20 0.49
POLB P06746 3/20 0.47
LMNA P02545 2/20 0.47
IDH1 O75874 1/20 0.47
APP P05067 1/20 0.44
PHGDH O43175 1/20 0.44

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
SCHEMBL4932746 0.91 MEN1 (0.63) L3MBTL1MAPK1TSHRMERTKMAPT
SCHEMBL2211997 0.91 L3MBTL1 (0.56) L3MBTL1MAPK1TSHRMERTKMAPT
SCHEMBL2324309 0.91 L3MBTL1 (0.56) L3MBTL1MAPK1TSHRMERTKMAPT
SCHEMBL3253899 0.90 L3MBTL1 (0.77) L3MBTL1MAPK1TSHRMAPTTDP1
Hydrochloric Acid SCHEMBL11533078 0.89 MAPK1 (0.57) L3MBTL1MAPK1TSHRMERTKMAPT
SCHEMBL8885999 0.88 MEN1 (0.57) L3MBTL1MAPK1TSHRMERTKMAPT
SCHEMBL2332567 0.88 L3MBTL1 (0.65) L3MBTL1MAPK1TSHRMERTKMAPT
SCHEMBL28738890 0.87 EPAS1 (0.55) L3MBTL1MAPK1TSHRMERTKMAPT
SCHEMBL31144798 0.87 L3MBTL1 (0.52) L3MBTL1MAPK1TSHRMERTKMAPT
SCHEMBL4744863 0.87 MAPT (0.64) L3MBTL1MAPK1MERTKMAPTTDP1

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
EP-1890547-A2 CONTROL OF PARASITES IN ANIMALS BY N-[(PHENYLOXY)PHENYL]-1,1,1-TRIFLUOROMETHANESULFONAMIDE AND N-[(PHENYLSULFANYL)PHENYL]-1,1,1-TRIFLUOROMETHANESULFONAMIDE DERIVATIVES Schering-Plough Ltd. (CH) 2008-02-27 EP disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 EP disclosed
WO-2006135648-A2 CONTROL OF PARASITES IN ANIMALS BY N-[(PHENYLOXY)PHENYL]-1,1,1-TRIFLUOROMETHANESULFONAMIDE AND N-[(PHENYLSULFANYL)PHENYL]-1,1,1-TRIFLUOROMETHANESULFONAMIDE DERIVATIVES SCHERING-PLOUGH LTD. (CH) 2006-12-21 WO disclosed
US-20060281695-A1 Control of parasites in animals by N-[(phenyloxy)phenyl]-1,1,1-trifluoromethanesulfonamide and N-[(phenylsulfanyl)phenyl]-1,1,1-trifluoromethanesulfonamide derivatives SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 2006-12-14 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 (2 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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 L3MBTL1 4264/4885MAPK1 884/4885TSHR 240/4885
US-20060281695-A1 Control of parasites in animals by N-[(phenyloxy)phenyl]-1,1,1-trifluoromethanesulfonamide and N-[(phenylsulfanyl)phenyl]-1,1,1-trifluoromethanesulfonamide derivatives ELANE, CTRL, PIGO L3MBTL1 66/4885MAPK1 1153/4885TSHR 2010/4885

“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.