Sugi Predict

Sugi Predict / Compounds / SCHEMBL339323

SCHEMBL339323

SCHEMBL339323

CC(C)(C)OC(=O)NCc1cc2ncc(N3CCNCC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ DDR1 Q08345 5/20 0.37
▸ IDO1 P14902 2/20 0.36
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ PAK3 O75914 1/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ LIMK1 P53667 1/20 0.35
▸ LIMK2 P53671 1/20 0.35
▸ PAK1 Q13153 1/20 0.35
▸ PAK2 Q13177 1/20 0.35
▸ PKN1 Q16512 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ MAPK8 P45983 2/20 0.35
▸ HPGD P15428 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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) ALDH1A1IDO1FNTAFNTBMAPK8
SCHEMBL339781 0.90 ALDH1A1 (0.38) ALDH1A1DDR1IDO1FNTAFNTB
SCHEMBL339005 0.84 IDO1 (0.40) ALDH1A1IDO1FNTAFNTBMAPK8
SCHEMBL338256 0.84 IDO1 (0.40) ALDH1A1IDO1FNTAFNTBHPGD
SCHEMBL1913178 0.83 PAK3 (0.41) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL337927 0.83 IDO1 (0.39) ALDH1A1IDO1FNTAFNTBMAPK8
SCHEMBL338660 0.81 MET (0.40) MEN1KMT2AMAPTEPHX2
SCHEMBL338980 0.80 IDO1 (0.39) ALDH1A1IDO1HPGDHTTKDM4E
SCHEMBL339424 0.80 DPP4 (0.43) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL340129 0.79 ALDH1A1 (0.39) ALDH1A1MAPK8HPGDSMN1; 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 10 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

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 480/4885DDR1 3673/4885IDO1 1621/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC ALDH1A1 480/4885DDR1 3673/4885IDO1 1621/4885

“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.