SCHEMBL3975595

SCHEMBL3975595

Cc1ccc(S(=O)(=O)Nc2ccsc2C(=O)Nc2c(C)cc(C)c(N3CCCC3)c2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.45
MEN1 O00255 9/20 0.45
GAA P10253 7/20 0.45
ALDH1A1 P00352 12/20 0.43
KDM4E B2RXH2 8/20 0.43
LMNA P02545 4/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 9/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
EDNRA P25101 1/20 0.40
RECQL P46063 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL3976730 0.93 EDNRA (0.42) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL3972658 0.93 ALDH1A1 (0.42) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL532871 0.93 MEN1 (0.45) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL1199925 0.92 ALDH1A1 (0.44) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL3975167 0.92 LMNA (0.53) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL3976237 0.92 MEN1 (0.44) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL3973300 0.90 DNMT1 (0.42) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL3973255 0.90 RAD52 (0.43) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL3981372 0.89 EDNRA (0.41) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL3973861 0.89 LMNA (0.42) KMT2AMEN1GAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579340-B2 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists PFIZER INC (US) 2009-08-25 US claimed
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. 2007-12-20 US claimed
US-7288538-B2 Cardiovascular homeostasis through combination of direct neuronal control and systemic neurohormonal activation ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-10-30 US claimed
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-03 US claimed
US-7579340-B2 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists PFIZER INC (US) 2009-08-25 US disclosed
EP-1817285-A4 CYCLOALKYL KETO PIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-01-21 EP 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-1817285-A2 CYCLOALKYL KETO PIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-08-15 EP disclosed
WO-2006073589-A2 CYCLOALKYL KETO PIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-07-13 WO disclosed
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-03 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 (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-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 KMT2A 3063/4885MEN1 3986/4885GAA 2037/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 KMT2A 3063/4885MEN1 3986/4885GAA 2037/4885

“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.