SCHEMBL533536

SCHEMBL533536

Cc1cccc(-c2ccccc2C(=O)Nc2c(C)cc(C)c(N3CCCC3)c2C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 7/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
CHRM3 P20309 3/20 0.41
GAA P10253 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL14288687 0.93 ALDH1A1 (0.42) L3MBTL1ALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL532826 0.91 ALDH1A1 (0.47) L3MBTL1ALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL532809 0.90 ALDH1A1 (0.46) L3MBTL1ALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL532902 0.89 L3MBTL1 (0.43) L3MBTL1ALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL533668 0.87 HDAC7 (0.43) L3MBTL1ALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL532977 0.87 KCNK3 (0.40) L3MBTL1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL533116 0.86 MAPT (0.46) L3MBTL1ALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL533307 0.85 F10 (0.43) L3MBTL1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL532940 0.84 GAA (0.50) L3MBTL1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL533064 0.83 MAPT (0.56) L3MBTL1ALDH1A1MAPTSMN1; SMN2TP53

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 7 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-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 L3MBTL1 4276/4885ALDH1A1 3281/4885MAPT 2351/4885
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 L3MBTL1 4276/4885ALDH1A1 3281/4885MAPT 2351/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 L3MBTL1 4276/4885ALDH1A1 3281/4885MAPT 2351/4885

“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.