SCHEMBL3978595

SCHEMBL3978595

Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 4/20 0.46
KDM4E B2RXH2 4/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
EDNRA P25101 13/20 0.45
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
EDNRB P24530 1/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
RAB9A P51151 2/20 0.39
XBP1 P17861 1/20 0.39
PAX8 Q06710 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
SCHEMBL1199349 0.93 EDNRA (0.45) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3982592 0.90 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL532871 0.88 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3976123 0.87 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3976237 0.87 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3981372 0.86 EDNRA (0.41) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3976730 0.86 EDNRA (0.42) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3977921 0.86 ACLY (0.52) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3976455 0.85 ACLY (0.42) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3977908 0.85 KMT2A (0.48) MEN1KMT2AMAPTALDH1A1GAA

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 MEN1 3986/4885KMT2A 3063/4885MAPT 2351/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 MEN1 3986/4885KMT2A 3063/4885MAPT 2351/4885

“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.