SCHEMBL3979216

SCHEMBL3979216

Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
SLC10A2 Q12908 1/20 0.41
SLC10A1 Q14973 1/20 0.41
SLC10A6 Q3KNW5 1/20 0.41
GAA P10253 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
POLB P06746 2/20 0.40
ATM Q13315 1/20 0.40
EDNRA P25101 1/20 0.37
KCNH2 Q12809 1/20 0.37
TP53 P04637 2/20 0.37
NPC1 O15118 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL1199854 0.93 LMNA (0.43) RAB9AMAPTMEN1KMT2AKDM4E
SCHEMBL3978023 0.92 MEN1 (0.40) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL3973255 0.91 RAD52 (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3972658 0.91 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL532871 0.90 MEN1 (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3976455 0.90 ACLY (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3976237 0.90 MEN1 (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3976652 0.89 NPSR1 (0.48) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL3977279 0.89 FFAR4 (0.45) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL3973861 0.89 LMNA (0.42) RAB9AALDH1A1MAPTMEN1KMT2A

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 RAB9A 1805/4885ALDH1A1 3281/4885MAPT 2351/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 RAB9A 1805/4885ALDH1A1 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.