SCHEMBL3976599

SCHEMBL3976599

Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1sccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.38
KCNQ2 O43526 5/20 0.37
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
LCK P06239 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
PKM P14618 2/20 0.34

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
SCHEMBL13882065 0.90 KMT2A (0.36) EDNRAKCNQ2MEN1ALDH1A1KMT2A
SCHEMBL1200132 0.90 MAPK1 (0.41) EDNRATP53RXFP1MEN1ALDH1A1
SCHEMBL531730 0.86 EDNRA (0.39) EDNRAKCNQ2TP53LMNARXFP1
SCHEMBL533436 0.84 RXFP1 (0.46) EDNRATP53LMNARXFP1MEN1
SCHEMBL3977323 0.82 EDNRA (0.41) EDNRAMEN1ALDH1A1KMT2AGAA
SCHEMBL3971806 0.81 KDM4E (0.51) MEN1ALDH1A1KMT2AGAAMAPT
SCHEMBL3973951 0.79 KMT2A (0.53) TP53LMNAMEN1ALDH1A1KMT2A
SCHEMBL532964 0.79 L3MBTL1 (0.47) TP53LMNARXFP1MEN1ALDH1A1
SCHEMBL532808 0.79 MAPT (0.54) LMNAMEN1ALDH1A1KMT2AGAA
SCHEMBL533966 0.79 POLB (0.44) TP53LMNARXFP1MEN1ALDH1A1

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 EDNRA 129/4885KCNQ2 4677/4885TP53 4487/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 EDNRA 129/4885KCNQ2 4677/4885TP53 4487/4885

“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.