SCHEMBL3975445

SCHEMBL3975445

Cc1ccc(NC(=O)c2sccc2NS(=O)(=O)c2ccccc2)c(C)c1N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
GAA P10253 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.39
ACLY P53396 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MCOLN2 Q8IZK6 1/20 0.38

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
SCHEMBL532871 0.87 MEN1 (0.45) KMT2AGAAMEN1ALDH1A1KDM4E
SCHEMBL3976237 0.86 MEN1 (0.44) KMT2AGAAMEN1ALDH1A1KDM4E
SCHEMBL1198862 0.84 KMT2A (0.43) KMT2AGAAMEN1ALDH1A1KDM4E
SCHEMBL3976081 0.84 ALDH1A1 (0.49) KMT2AGAAMEN1ALDH1A1KDM4E
SCHEMBL1199943 0.83 KMT2A (0.43) KMT2AGAAMEN1ALDH1A1KDM4E
SCHEMBL7537973 0.80 LMNA (0.46) KMT2AGAAMEN1ALDH1A1MAPT
SCHEMBL3975595 0.79 KMT2A (0.45) KMT2AGAAMEN1ALDH1A1KDM4E
SCHEMBL3973255 0.79 RAD52 (0.43) KMT2AGAAMEN1ALDH1A1KDM4E
SCHEMBL3972606 0.79 MAPK1 (0.42) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL3976730 0.78 EDNRA (0.42) KMT2AGAAMEN1ALDH1A1KDM4E

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 4 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 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 KMT2A 3063/4885GAA 2037/4885MEN1 3986/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 KMT2A 3063/4885GAA 2037/4885MEN1 3986/4885

“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.