SCHEMBL2741009

SCHEMBL2741009

NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.58
▸ CA12 O43570 1/20 0.58
▸ CA9 Q16790 1/20 0.58
▸ MEN1 O00255 7/20 0.51
▸ KMT2A Q03164 7/20 0.51
▸ MAPT P10636 6/20 0.51
▸ LMNA P02545 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ GFER P55789 1/20 0.51
▸ CRHBP P24387 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ BCL2L1 Q07817 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ GUSB P08236 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CTSV O60911 1/20 0.46

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
SCHEMBL11407805 0.85 CA2 (0.63) CA2CA12CA9MEN1KMT2A
SCHEMBL2740998 0.83 CRHBP (0.60) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8820451 0.81 CA2 (0.61) CA2CA12CA9MEN1KMT2A
SCHEMBL10422318 0.81 SLC25A1 (0.66) CA2CA12CA9MEN1KMT2A
SCHEMBL28226726 0.81 CRHBP (0.52) CA2CA12CA9MEN1KMT2A
SCHEMBL23832738 0.81 CA12 (0.61) CA2CA12CA9MEN1KMT2A
SCHEMBL7572373 0.81 L3MBTL1 (0.67) CA2CA12CA9MEN1KMT2A
SCHEMBL7015594 0.79 GUSB (0.66) CA2CA12CA9MEN1KMT2A
SCHEMBL10882482 0.78 CA2 (0.51) CA2CA12CA9MAPTGAA
SCHEMBL25754684 0.77 HPGD (0.62) CA2CA12CA9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088772-B2 Sulfonamides and their use as a medicament THE GENETICS COMPANY, INC. (CH) 2012-01-03 — — US disclosed
US-20100249135-A1 SULFONAMIDES AND THEIR USE AS A MEDICAMENT THE GENETICS COMPANY, INC. (CH) 2010-09-30 — — 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 (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-20100249135-A1 SULFONAMIDES AND THEIR USE AS A MEDICAMENT BCOR, CBR3, SULT1E1 CA2 304/4885CA12 461/4885CA9 674/4885

“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.

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