SCHEMBL2999189

SCHEMBL2999189

O=C1N=C(Nc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2Cl)SC1=Cc1ccc2ncccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NFKBIA P25963 1/20 0.40
RELA Q04206 1/20 0.40
DYRK3 O43781 2/20 0.39
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PKM P14618 1/20 0.38
PIK3CA P42336 2/20 0.37
PIK3CD O00329 1/20 0.37
PIM1 P11309 1/20 0.37
CSNK2A2 P19784 1/20 0.37
PIK3CG P48736 1/20 0.37
CLK1 P49759 1/20 0.37
CLK3 P49761 1/20 0.37
CSNK2B P67870 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
SCHEMBL2999185 1.00 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2NFKBIARELA
SCHEMBL2987074 0.91 DYRK3 (0.44) ALDH1A1LMNASMN1; SMN2DYRK3PIK3CA
SCHEMBL2987077 0.91 DYRK3 (0.44) ALDH1A1LMNASMN1; SMN2DYRK3PIK3CA
SCHEMBL2995411 0.90 LMNA (0.55) ALDH1A1LMNASMN1; SMN2DYRK3MAPT
SCHEMBL2995409 0.90 LMNA (0.55) ALDH1A1LMNASMN1; SMN2DYRK3MAPT
SCHEMBL2789825 0.88 MEN1 (0.46) ALDH1A1SMN1; SMN2DYRK3MAPTPOLB
SCHEMBL2789830 0.88 MEN1 (0.46) ALDH1A1SMN1; SMN2DYRK3MAPTPOLB
SCHEMBL2990580 0.85 DYRK3 (0.44) ALDH1A1LMNASMN1; SMN2DYRK3KMT2A
SCHEMBL2990583 0.85 DYRK3 (0.44) ALDH1A1LMNASMN1; SMN2DYRK3KMT2A
SCHEMBL2992745 0.84 DYRK3 (0.41) ALDH1A1LMNASMN1; SMN2NFKBIARELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US claimed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP claimed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 WO claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 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 (2 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-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 ALDH1A1 2461/4885LMNA 600/4885SMN1; SMN2 113/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 ALDH1A1 4089/4885LMNA 1257/4885SMN1; SMN2 2437/4885

“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.