SCHEMBL6502612

SCHEMBL6502612

CCC(=O)Nc1nc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 7/20 0.43
MEN1 O00255 4/20 0.43
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6299408 0.84 MEN1 (0.46) KMT2AL3MBTL1MAPTMEN1ALDH1A1
SCHEMBL28653082 0.79 PGK1 (0.49) KMT2ALMNAL3MBTL1MAPTALDH1A1
SCHEMBL5288789 0.77 LMNA (0.51) KMT2ALMNAMAPTALDH1A1RAB9A
SCHEMBL3997588 0.74 MEN1 (0.45) KMT2ALMNAL3MBTL1MAPTMEN1
SCHEMBL6503126 0.71 NPC1 (0.35) KMT2ALMNAL3MBTL1MAPTMEN1
SCHEMBL22770018 0.71 MAPT (0.46) KMT2ALMNAMAPTALDH1A1HTT
SCHEMBL9705297 0.71 SMN1; SMN2 (0.49) KMT2ALMNAL3MBTL1MAPTMEN1
SCHEMBL21948484 0.71 MAPT (0.50) KMT2ALMNAL3MBTL1MAPTMEN1
SCHEMBL9042037 0.71 TXNRD1 (0.51) KMT2ALMNAMAPTMEN1ALDH1A1
SCHEMBL9041742 0.70 MAPT (0.55) KMT2ALMNAL3MBTL1MAPTMEN1

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
US-6890934-B2 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-10 US disclosed
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-11 US disclosed
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 US disclosed
CN-1335847-A Sulfonamide compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO (JP) 2002-02-13 CN disclosed
EP-1136492-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF AS MEDICINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 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-20030171396-A1 Sulfonamide compounds and uses thereof as medicines PDE2A, PDE3A, PDE5A KMT2A 1625/4885LMNA 2742/4885L3MBTL1 4532/4885

“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.