SCHEMBL339781

SCHEMBL339781

CC(C)(C)OC(=O)NCc1cc2ncc(N3CCOCC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
IDO1 P14902 2/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DDR1 Q08345 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL339213 0.90 IDO1 (0.38) ALDH1A1IDO1KDM4EHPGDHTT
SCHEMBL339323 0.90 ALDH1A1 (0.38) ALDH1A1IDO1KDM4EHPGDHTT
SCHEMBL340129 0.89 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2SCN2ASCN10A
SCHEMBL1919688 0.87 ALDH1A1 (0.38) ALDH1A1RAF1BRAFIDO1KDM4E
SCHEMBL338930 0.85 CRHR1 (0.41) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL338256 0.84 IDO1 (0.40) ALDH1A1IDO1KDM4EHPGDHTT
SCHEMBL339005 0.84 IDO1 (0.40) ALDH1A1IDO1KDM4EHPGDHTT
SCHEMBL1913165 0.83 CRHR1 (0.42) ALDH1A1KDM4EHPGDHTTMEN1
SCHEMBL338896 0.83 ALDH1A1 (0.40) ALDH1A1IDO1
SCHEMBL337927 0.83 IDO1 (0.39) ALDH1A1IDO1KDM4EHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
EP-2004643-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 WO disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC ALDH1A1 480/4885RAF1 4139/4885BRAF 3371/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC ALDH1A1 480/4885RAF1 4139/4885BRAF 3371/4885

“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.