SCHEMBL533942

SCHEMBL533942

Cc1cc(C)c(N2CCCC2)c(C)c1NS(=O)(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48
MCL1 Q07820 4/20 0.47
ALDH1A1 P00352 4/20 0.47
EDNRB P24530 2/20 0.46
EDNRA P25101 2/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK7 P50613 1/20 0.44
CCNH P51946 1/20 0.44
CCNA1 P78396 1/20 0.44
NHERF1 O14745 1/20 0.44

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
SCHEMBL534052 0.87 MEN1 (0.47) L3MBTL1POLBALDH1A1EDNRBEDNRA
SCHEMBL14288678 0.86 ALDH1A1 (0.52) L3MBTL1POLBALDH1A1LMNAMEN1
SCHEMBL533043 0.86 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL533018 0.85 ALDH1A1 (0.51) L3MBTL1POLBMCL1ALDH1A1LMNA
SCHEMBL533656 0.85 ACLY (0.39) L3MBTL1POLBLMNAKMT2AHPGD
SCHEMBL532880 0.84 FFAR4 (0.56) L3MBTL1POLBALDH1A1LMNAMEN1
SCHEMBL532815 0.84 ACLY (0.53)
SCHEMBL532966 0.83 KMT2A (0.43) L3MBTL1POLBLMNAKMT2AHPGD
SCHEMBL533015 0.83 ACLY (0.54)
SCHEMBL532951 0.82 EDNRB (0.45) L3MBTL1POLBALDH1A1EDNRBEDNRA

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
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
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

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 L3MBTL1 4276/4885POLB 3329/4885MCL1 4312/4885
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 L3MBTL1 4276/4885POLB 3329/4885MCL1 4312/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 L3MBTL1 4276/4885POLB 3329/4885MCL1 4312/4885

“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.