SCHEMBL252486

SCHEMBL252486

CC(=O)CC(=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
MLYCD O95822 1/20 0.59
ALDH1A1 P00352 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
PLA2G1B P04054 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
GAA P10253 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ATG4B Q9Y4P1 1/20 0.58
LMNA P02545 2/20 0.54
HPGD P15428 1/20 0.54
USP2 O75604 1/20 0.54
POLB P06746 1/20 0.54
MAPK14 Q16539 1/20 0.53

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
SCHEMBL15881788 0.87 L3MBTL1 (0.64) L3MBTL1NPC1RAB9AMLYCDALDH1A1
SCHEMBL13884195 0.87 L3MBTL1 (0.64) L3MBTL1NPC1RAB9AMLYCDALDH1A1
SCHEMBL185921 0.86 MLYCD (0.63) L3MBTL1NPC1RAB9AMLYCDALDH1A1
SCHEMBL249436 0.84 L3MBTL1 (0.61) L3MBTL1NPC1RAB9AMLYCDALDH1A1
SCHEMBL17231401 0.84 MLYCD (0.60) L3MBTL1NPC1RAB9AMLYCDMEN1
SCHEMBL4501943 0.84 L3MBTL1 (0.64) L3MBTL1NPC1RAB9AMLYCDALDH1A1
SCHEMBL23135794 0.83 SMN1; SMN2 (0.63) L3MBTL1NPC1RAB9AMLYCDALDH1A1
SCHEMBL24713109 0.83 MLYCD (0.67) L3MBTL1NPC1RAB9AMLYCDMEN1
SCHEMBL30661718 0.81 MLYCD (0.65) L3MBTL1NPC1RAB9AMLYCDALDH1A1
SCHEMBL2420380 0.81 L3MBTL1 (0.68) L3MBTL1NPC1RAB9AMLYCDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO disclosed
EP-0200134-B1 5,6-Dihydroimidazo[2,1-b]thiazole-2-carboxamide derivatives or salts thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-08-14 EP disclosed
US-4910315-A Containing a phenyl substitution KUMIAI CHEMICAL INDUSTRY CO. (JP) 1990-03-20 US disclosed
US-4736038-A IMMUNOLOGY KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-04-05 US disclosed
EP-0200134-A2 5,6-Dihydroimidazo[2,1-b]thiazole-2-carboxamide derivatives or salts thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1986-11-05 EP 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 L3MBTL1 3730/4885NPC1 1797/4885RAB9A 2438/4885

“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.