SCHEMBL532801

SCHEMBL532801

Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1ccccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 1/20 0.44
TP53 P04637 2/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
BRCA1 P38398 1/20 0.42

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
SCHEMBL533064 0.89 MAPT (0.56) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL534992 0.87 MAPT (0.46) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL533434 0.87 ALDH1A1 (0.44) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL534076 0.87 POLB (0.53) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL532964 0.86 L3MBTL1 (0.47) GAANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL532950 0.86 KMT2A (0.56) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL532983 0.85 MAPT (0.46) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL532916 0.85 KMT2A (0.44) NPC1MAPTALDH1A1NPSR1ATM
SCHEMBL532973 0.85 MAPT (0.44) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL533116 0.85 MAPT (0.46) GAANPC1RAB9ASMN1; SMN2MAPT

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 GAA 2037/4885NPC1 2180/4885RAB9A 1805/4885
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 GAA 2037/4885NPC1 2180/4885RAB9A 1805/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 GAA 2037/4885NPC1 2180/4885RAB9A 1805/4885

“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.