SCHEMBL533494

SCHEMBL533494

COc1ccc(Br)c(C(=O)Nc2c(C)cc(C)c(N3CCCC3)c2C)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
F10 P00742 1/20 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
SCHEMBL534992 0.87 MAPT (0.46) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL532916 0.85 KMT2A (0.44) MAPTKMT2AMEN1KDM4ENPC1
SCHEMBL532962 0.85 GAA (0.45) MAPTKMT2AGAAKDM4EPOLB
SCHEMBL532801 0.83 GAA (0.48) MAPTKMT2AMEN1GAANPC1
SCHEMBL532977 0.82 KCNK3 (0.40) MAPTGAAKDM4EPOLBNPC1
SCHEMBL532940 0.81 GAA (0.50) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL534153 0.79 MAPT (0.58) MAPTKMT2AMEN1POLBNPC1
SCHEMBL532973 0.78 MAPT (0.44) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL533434 0.78 ALDH1A1 (0.44) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL533064 0.77 MAPT (0.56) MAPTKMT2AMEN1GAAKDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415760-A2 CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2012-02-08 EP disclosed
US-7579340-B2 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists PFIZER INC (US) 2009-08-25 US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 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
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2004-09-16 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 (3 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 MAPT 2351/4885KMT2A 3063/4885MEN1 3986/4885
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 MAPT 2351/4885KMT2A 3063/4885MEN1 3986/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 MAPT 2351/4885KMT2A 3063/4885MEN1 3986/4885

“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.