SCHEMBL533656

SCHEMBL533656

Cc1cc(C)c(N2CCCC2)c(C)c1NS(=O)(=O)c1cc(Cl)cc(Cl)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 5/20 0.39
MAPT P10636 5/20 0.38
POLB P06746 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
GPR55 Q9Y2T6 1/20 0.37
GAA P10253 3/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
FKBP1A P62942 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33

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
SCHEMBL532815 0.87 ACLY (0.53) ACLY
SCHEMBL532966 0.86 KMT2A (0.43) ACLYMAPTPOLBTDP1NPSR1
SCHEMBL533015 0.86 ACLY (0.54) ACLY
SCHEMBL532881 0.86 GAA (0.39) MAPTPOLBTDP1NPSR1L3MBTL1
SCHEMBL533942 0.85 L3MBTL1 (0.48) MAPTPOLBL3MBTL1GAALMNA
SCHEMBL14288635 0.84 ACLY (0.37) ACLYMAPTPOLBTDP1NPSR1
SCHEMBL533676 0.84 ACLY (0.46) ACLYMAPTPOLBTHRBLMNA
SCHEMBL532997 0.84 ACLY (0.39) ACLYMAPTNPSR1L3MBTL1GAA
SCHEMBL534052 0.81 MEN1 (0.47) MAPTPOLBL3MBTL1GPR55GAA
SCHEMBL8321880 0.79 ACLY (0.47) ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415760-A2 CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2012-02-08 EP disclosed
US-7579340-B2 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists PFIZER INC (US) 2009-08-25 US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-7288538-B2 Cardiovascular homeostasis through combination of direct neuronal control and systemic neurohormonal activation ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-10-30 US disclosed
EP-1610753-A4 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC (US) 2007-07-04 EP disclosed
EP-1610753-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2006-01-04 EP disclosed
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-03 US disclosed
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2004-09-16 US disclosed
WO-2004073634-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-02 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 (3 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-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 ACLY 4820/4885MAPT 2351/4885POLB 3329/4885
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 ACLY 4820/4885MAPT 2351/4885POLB 3329/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 ACLY 4820/4885MAPT 2351/4885POLB 3329/4885

“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.