SCHEMBL3973951

SCHEMBL3973951

Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1sccc1NC(=O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
GAA P10253 1/20 0.53
CYP2C9 P11712 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
F10 P00742 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL3971806 0.90 KDM4E (0.51) KMT2AKDM4EALDH1A1MEN1CYP1A2
SCHEMBL3972658 0.85 ALDH1A1 (0.42) KMT2AKDM4EALDH1A1MEN1CYP1A2
SCHEMBL3978023 0.81 MEN1 (0.40) KMT2AKDM4EALDH1A1MEN1CYP3A4
SCHEMBL3977323 0.81 EDNRA (0.41) KMT2AKDM4EALDH1A1MEN1CYP3A4
SCHEMBL13882066 0.81 SMN1; SMN2 (0.36) KMT2AKDM4EALDH1A1MEN1CYP1A2
SCHEMBL3972434 0.80 MAPT (0.49) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL3976599 0.79 EDNRA (0.38) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL531730 0.79 EDNRA (0.39) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL3979216 0.79 RAB9A (0.42) KMT2AKDM4EALDH1A1MEN1CYP3A4
SCHEMBL3976397 0.79 MEN1 (0.40) KMT2AKDM4EALDH1A1MEN1CYP3A4

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 3063/4885KDM4E 4540/4885ALDH1A1 3281/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 KMT2A 3063/4885KDM4E 4540/4885ALDH1A1 3281/4885

“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.