SCHEMBL533684

SCHEMBL533684

N#Cc1c(N)cccc1N1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
KDM4E B2RXH2 5/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
KEAP1 Q14145 1/20 0.59
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 3/20 0.43
ADORA2A P29274 2/20 0.43
AR P10275 1/20 0.42
HTT P42858 3/20 0.42
S100B P04271 2/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 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
SCHEMBL2416782 0.98 ALDH1A1 (0.65) ALDH1A1KDM4EL3MBTL1KEAP1PDCD1
Sulfamide SCHEMBL2421696 0.92 KDM4E (0.58) ALDH1A1KDM4EL3MBTL1KEAP1PDCD1
SCHEMBL9513713 0.83 KDM4E (0.68) ALDH1A1KDM4EL3MBTL1KEAP1TDP1
SCHEMBL11613977 0.83 ADRA2C (0.62) ALDH1A1KDM4EL3MBTL1HPGDHSD17B10
SCHEMBL1871089 0.82 ALDH1A1 (0.67) ALDH1A1KDM4EL3MBTL1KEAP1PDCD1
SCHEMBL573134 0.82 ALDH1A1 (0.67) ALDH1A1KDM4EL3MBTL1KEAP1PDCD1
SCHEMBL22964428 0.82 KDM4E (0.46) ALDH1A1KDM4EL3MBTL1KEAP1PDCD1
SCHEMBL1878340 0.80 ALDH1A1 (0.69) ALDH1A1KDM4EL3MBTL1KEAP1PDCD1
SCHEMBL3381896 0.80 GAA (0.44) ALDH1A1KDM4EL3MBTL1HPGDHSD17B10
SCHEMBL1154557 0.79 KDM4E (0.71) ALDH1A1KDM4EL3MBTL1KEAP1PDCD1

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 28 patents — showing the first 20. 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
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
EP-1610753-A4 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC (US) 2007-07-04 EP disclosed
EP-1610753-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2006-01-04 EP disclosed
EP-0133234-A2 Imidazoquinazolin-2-one compounds process for their production and pharmaceutical compositions containing said compounds DAIICHI SEIYAKU CO., LTD. (JP) 1985-02-20 EP disclosed
US-4209528-A Antisecretory oxamic acid esters AMERICAN HOME PRODUCTS CORPORATION (US) 1980-06-24 US disclosed
US-4137325-A Antisecretory oxamic acid esters AMERICAN HOME PRODUCTS CORPORATION (US) 1979-01-30 US disclosed
US-4129735-A MULTISTAGE FROM AN OXAMIC ACID ESTER AND PHOSPHORUS PENTACHLORIDE AMERICAN HOME PRODUCTS CORPORATION (US) 1978-12-12 US disclosed
US-4123432-A ANTIALLERGENS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-10-31 US disclosed
US-4116960-A ANTI-ALLERGIC AMERICAN HOME PRODUCTS CORPORATION (US) 1978-09-26 US disclosed
US-4087606-A ANTIALLERGENS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-05-02 US disclosed
US-4057632-A ANTIBODY-ANTIGEN INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-11-08 US disclosed
US-4054591-A ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 US disclosed
US-4013647-A ANTIALLERGENS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-03-22 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 (1 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-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 ALDH1A1 3281/4885KDM4E 4540/4885L3MBTL1 4276/4885

“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.