SCHEMBL3977908

SCHEMBL3977908

Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccccc1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPT P10636 6/20 0.48
MEN1 O00255 5/20 0.48
KDM4E B2RXH2 4/20 0.48
GAA P10253 2/20 0.48
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
HTT P42858 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 3/20 0.39
EDNRA P25101 3/20 0.38
IDH1 O75874 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
MRGPRX1 Q96LB2 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
SCHEMBL3976123 0.88 MEN1 (0.45) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL3982592 0.85 MEN1 (0.46) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL3978595 0.85 MEN1 (0.46) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL3976014 0.85 SLC40A1 (0.40) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL533057 0.84 ALPL (0.44) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL1199710 0.83 MAPT (0.49) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL532871 0.83 MEN1 (0.45) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL3976237 0.83 MEN1 (0.44) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL3972658 0.82 ALDH1A1 (0.42) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL3973300 0.81 DNMT1 (0.42) KMT2AALDH1A1MAPTMEN1KDM4E

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 3063/4885ALDH1A1 3281/4885MAPT 2351/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 KMT2A 3063/4885ALDH1A1 3281/4885MAPT 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.