SCHEMBL3971806

SCHEMBL3971806

Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1sccc1NC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 9/20 0.44
MEN1 O00255 6/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.42
BRPF1 P55201 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 2/20 0.40
GFER P55789 1/20 0.40
LCK P06239 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL3973951 0.90 KMT2A (0.53) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL532849 0.87 SMN1; SMN2 (0.49) KDM4EL3MBTL1KMT2AMEN1NPC1
SCHEMBL532871 0.85 MEN1 (0.45) KDM4EL3MBTL1KMT2AMEN1MAPT
SCHEMBL533436 0.85 RXFP1 (0.46) KDM4EL3MBTL1KMT2AMEN1MAPT
SCHEMBL3976237 0.84 MEN1 (0.44) KDM4EL3MBTL1KMT2AMEN1MAPT
SCHEMBL3977323 0.83 EDNRA (0.41) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL3975199 0.82 ALDH1A1 (0.40) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL3976599 0.81 EDNRA (0.38) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL531730 0.81 EDNRA (0.39) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL534054 0.81 LMNA (0.46) KDM4EKMT2AMEN1NPC1RAB9A

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 KDM4E 4540/4885L3MBTL1 4276/4885KMT2A 3063/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 KDM4E 4540/4885L3MBTL1 4276/4885KMT2A 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.