SCHEMBL6345845

SCHEMBL6345845

NSOOc1ccc(-n2nc(C(N)=O)c3ccc4ccc(N)cc4c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.40
MAPT P10636 2/20 0.34
CASP1 P29466 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK8 P49336 1/20 0.33
NEK2 P51955 1/20 0.33
LIMK1 P53667 1/20 0.33
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
F10 P00742 7/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ADORA1 P30542 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32

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
SCHEMBL6345828 0.81 SCN9A (0.44) SCN9AMAPTCASP1GAACHEK1
SCHEMBL6353757 0.77 CCNA2 (0.44) CCNA2CDK2CCNA1
SCHEMBL6343693 0.75 CCNA2 (0.44) SCN9AMAPTCASP1GAACHEK1
SCHEMBL6351808 0.74 POLB (0.41) MAPTALDH1A1F10SMN1; SMN2
SCHEMBL5253419 0.73 CCNA2 (0.46) F10F2CCNA2CDK2CCNA1
SCHEMBL6349510 0.72 CA1 (0.41) MAPTCASP1GAACHEK1AURKA
SCHEMBL6345464 0.70 HTT (0.36) ALDH1A1GAAF10KMT2ACCNA2
SCHEMBL6658045 0.65 CCNA2 (0.46) AURKAF10F2CCNA2CDK2
SCHEMBL14502636 0.64 MAPT (0.48) SCN9AMAPTCASP1ALDH1A1CHEK1
SCHEMBL5258403 0.63 PTGS1 (0.44) SCN9AF10CCNA2CDK2CCNA1

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-6849653-B2 1H-benzo(g)indazole compounds as anticarcinogenic agents and also treat arthritis PHARMACIA CORPORATION (US) 2005-02-01 US disclosed
EP-1438293-A2 SUBSTITUTED PYRAZOLYL BENZENESULFAMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-07-21 EP disclosed
US-20030125361-A1 Substituted pyrazolyl benzenesulfamide compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-07-03 US disclosed
WO-2003027075-A2 SUBSTITUTED PYRAZOLYL BENZENESULFAMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-04-03 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-20030125361-A1 Substituted pyrazolyl benzenesulfamide compounds for the treatment of inflammation IRAK4, NLRP3, CXCL8 SCN9A 4630/4885MAPT 3251/4885CASP1 11/4885

“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.