SCHEMBL3975199

SCHEMBL3975199

Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37
F2 P00734 3/20 0.37
EDNRA P25101 3/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ACLY P53396 1/20 0.35
MAPK1 P28482 1/20 0.35
PTK2B Q14289 1/20 0.35

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 0.86 MEN1 (0.45) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL3976237 0.86 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL3977323 0.85 EDNRA (0.41) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL3971806 0.82 KDM4E (0.51) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL3978595 0.82 MEN1 (0.46) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL3982592 0.82 MEN1 (0.46) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL3975595 0.81 KMT2A (0.45) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL3973255 0.81 RAD52 (0.43) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL532988 0.81 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4EMAPK1PTK2B
SCHEMBL3976123 0.80 MEN1 (0.45) ALDH1A1MEN1KMT2AMAPTGAA

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 ALDH1A1 3281/4885MEN1 3986/4885KMT2A 3063/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 ALDH1A1 3281/4885MEN1 3986/4885KMT2A 3063/4885

“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.