SCHEMBL3975237

SCHEMBL3975237

Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccc(F)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.40
ACLY P53396 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 6/20 0.38
MAPT P10636 6/20 0.38
KDM4E B2RXH2 5/20 0.38
LMNA P02545 5/20 0.38
HPGD P15428 3/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
GAA P10253 2/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCOLN2 Q8IZK6 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CRHBP P24387 1/20 0.35

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
SCHEMBL3973861 0.93 LMNA (0.42) EDNRAACLYPOLBALDH1A1MAPT
SCHEMBL3981372 0.93 EDNRA (0.41) EDNRAACLYALDH1A1MAPTKDM4E
SCHEMBL3976730 0.91 EDNRA (0.42) EDNRAACLYPOLBALDH1A1MAPT
SCHEMBL3972658 0.89 ALDH1A1 (0.42) EDNRAPOLBALDH1A1MAPTKDM4E
SCHEMBL3977921 0.89 ACLY (0.52) EDNRAACLYALDH1A1MAPTKDM4E
SCHEMBL3976455 0.88 ACLY (0.42) EDNRAACLYALDH1A1MAPTKDM4E
SCHEMBL3976397 0.88 MEN1 (0.40) EDNRAACLYALDH1A1MAPTKDM4E
SCHEMBL3978023 0.87 MEN1 (0.40) EDNRAACLYALDH1A1MAPTKDM4E
SCHEMBL3975595 0.87 KMT2A (0.45) EDNRAALDH1A1MAPTKDM4ELMNA
SCHEMBL1199355 0.87 ALDH1A1 (0.42) EDNRAACLYPOLBALDH1A1MAPT

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 8 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
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

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 EDNRA 129/4885ACLY 4820/4885POLB 3329/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 EDNRA 129/4885ACLY 4820/4885POLB 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.