SCHEMBL3974388

SCHEMBL3974388

Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
MAPK1 P28482 1/20 0.45
EDNRA P25101 7/20 0.44
IDH1 O75874 2/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
RECQL P46063 1/20 0.41
EDNRB P24530 1/20 0.40

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
SCHEMBL3972434 0.88 MAPT (0.49) MAPTMAPK1EDNRAKDM4EALDH1A1
SCHEMBL532974 0.86 EDNRA (0.49) MAPTEDNRAKDM4EALDH1A1LMNA
SCHEMBL3975239 0.83 EDNRA (0.46) MAPTEDNRAKDM4EALDH1A1LMNA
SCHEMBL3977908 0.81 KMT2A (0.48) MAPTEDNRAIDH1KDM4EALDH1A1
SCHEMBL3976014 0.80 SLC40A1 (0.40) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL3977551 0.80 MEN1 (0.48) MAPTEDNRAKDM4EALDH1A1GAA
SCHEMBL532858 0.79 EDNRA (0.47) MAPTEDNRAIDH1KDM4EALDH1A1
SCHEMBL533565 0.79 MAPT (0.61) MAPTEDNRAKDM4EALDH1A1LMNA
SCHEMBL1199712 0.79 MAPK1 (0.43) MAPTMAPK1KDM4EALDH1A1LMNA
SCHEMBL1198873 0.77 MAPK1 (0.44) MAPTMAPK1EDNRAKDM4EALDH1A1

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 MAPT 2351/4885MAPK1 2363/4885EDNRA 129/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 MAPT 2351/4885MAPK1 2363/4885EDNRA 129/4885

“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.