SCHEMBL6748095

SCHEMBL6748095

O=[N+]([O-])c1ccc(N(Cl)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 5/20 0.54
CRHBP P24387 2/20 0.54
CRHR2 Q13324 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ATM Q13315 1/20 0.54
TLR9 Q9NR96 1/20 0.54
CA9 Q16790 4/20 0.50
CA12 O43570 3/20 0.50
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.50
CA3 P07451 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA13 Q8N1Q1 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50

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
SCHEMBL28226725 0.81 MEN1 (0.54) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL6398896 0.80 APOBEC3G (0.52) KMT2AALDH1A1CA9CA12CA2
SCHEMBL5559803 0.75 ALDH1A1 (0.64) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL7571544 0.75 MEN1 (0.61) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL2520150 0.75 MEN1 (0.66) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL11655146 0.75 AGTR1 (0.64) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL3895943 0.75 AGTR1 (0.64) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL4819506 0.75 NR3C1 (0.57) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL3147717 0.74 NR3C1 (0.56) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL1164063 0.73 CA1 (0.72) MEN1KMT2AALDH1A1ATMCA9

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
US-6706748-B2 USE AS MICROBICIDES NIHON BAYER AGROCHEM, K.K. (JP) 2004-03-16 US disclosed
US-20030220197-A1 Isothiazole derivatives NIHON BAYER AGROCHEM K.K. (JP) 2003-11-27 US disclosed
EP-1284970-A2 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2003-02-26 EP disclosed
WO-2001077090-A2 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-10-18 WO 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-20030220197-A1 Isothiazole derivatives IRF3, MSR1, ARG1 MEN1 4222/4885KMT2A 3359/4885ALDH1A1 376/4885

“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.