SCHEMBL589965

SCHEMBL589965

CCNC(=O)NCCCNC(=O)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
POLB P06746 1/20 0.63
EPHX1 P07099 8/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CA3 P07451 2/20 0.60
CA5A P35218 2/20 0.60
CA5B Q9Y2D0 2/20 0.60
CA14 Q9ULX7 2/20 0.60
CA12 O43570 1/20 0.60
CA2 P00918 1/20 0.60
CA4 P22748 1/20 0.60
CA6 P23280 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
EPHX2 P34913 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 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
SCHEMBL2887269 0.92 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBEPHX1MEN1
SCHEMBL13135023 0.83 EPHX1 (0.61) EPHX1MEN1KMT2AEPHX2CNR2
SCHEMBL467174 0.82 CA3 (0.74) ALDH1A1SMN1; SMN2POLBEPHX1MEN1
SCHEMBL2736707 0.79 EPHX1 (0.84) ALDH1A1SMN1; SMN2POLBEPHX1MEN1
SCHEMBL1387208 0.79
SCHEMBL14198101 0.79 EPHX1 (0.68) EPHX1MEN1KMT2AEPHX2CNR2
SCHEMBL27889238 0.79 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBEPHX1MEN1
SCHEMBL1389225 0.78 EPHX1 (0.96) ALDH1A1SMN1; SMN2POLBEPHX1MEN1
SCHEMBL17367966 0.78 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2POLBEPHX1MEN1
SCHEMBL4147505 0.78 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2POLBEPHX1MEN1

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
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
EP-2012759-A1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 EP disclosed
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
WO-2007121923-A1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
EP-1841768-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2007-10-10 EP disclosed
WO-2006074925-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2006-07-20 WO 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 (2 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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 ALDH1A1 478/4885SMN1; SMN2 3129/4885POLB 2765/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 ALDH1A1 201/4885SMN1; SMN2 3845/4885POLB 2576/4885

“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.