SCHEMBL6828525

SCHEMBL6828525

Cc1ccc(S(=O)(=O)N(C)c2ccc(C)c([N+](=O)[O-])c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
MCOLN3 Q8TDD5 3/20 0.61
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.54
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
C5AR1 P21730 1/20 0.46
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CYP2C9 P11712 1/20 0.43

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
SCHEMBL7186866 0.81 NPC1 (0.56) MAPTMCOLN3HTTL3MBTL1POLB
SCHEMBL2008337 0.78 MAPT (1.00) MAPTMCOLN3HTTNPSR1L3MBTL1
SCHEMBL2367796 0.77 CYP3A4 (0.54) MAPTMCOLN3HTTNPSR1L3MBTL1
SCHEMBL2118633 0.76 MAPT (0.49) MAPTMCOLN3HTTNPSR1L3MBTL1
SCHEMBL2038302 0.76 MAPT (0.73) MAPTNPSR1L3MBTL1ALDH1A1LMNA
SCHEMBL994159 0.75 ALDH1A1 (0.69) MCOLN3HTTPOLBALDH1A1LMNA
SCHEMBL11871757 0.75 VCAM1 (0.61) ALDH1A1
SCHEMBL14563782 0.75 KMT2A (0.59) MAPTMCOLN3HTTNPSR1L3MBTL1
SCHEMBL4966069 0.75 VCAM1 (0.51) MAPTMCOLN3HTTNPSR1L3MBTL1
SCHEMBL7077936 0.75 MAPT (0.67) MAPTMCOLN3HTTNPSR1L3MBTL1

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-20040023938-A1 Sulfonamide derivatives TABUCHI TAKANORI (JP) 2004-02-05 US disclosed
US-6586617-B1 Nontoxic microbiocides such as 4'-chloro-N-ethyl-2'-nitro-p-toluenesulfonanilide, for agricultural or horticultural, prepared by alkylation or nitration SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2003-07-01 US disclosed
EP-1174028-A1 SULFONAMIDE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-01-23 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-20040023938-A1 Sulfonamide derivatives FPR1, MRM1, SULT1E1 MAPT 4869/4885MCOLN3 3672/4885HTT 1845/4885

“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.