Sugi Predict

Sugi Predict / Compounds / SCHEMBL339005

SCHEMBL339005

SCHEMBL339005

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ CNR1 P21554 3/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 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
SCHEMBL338256 0.89 IDO1 (0.40) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL337927 0.88 IDO1 (0.39) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL339441 0.86 IDO1 (0.41) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL338980 0.85 IDO1 (0.39) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL339781 0.84 ALDH1A1 (0.38) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL339323 0.84 ALDH1A1 (0.38) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL339213 0.84 IDO1 (0.38) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL339524 0.81 EPHX2 (0.46) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL337909 0.81 IDO1 (0.41) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL339219 0.80 IDO1 (0.47) IDO1ALDH1A1HPGDHTTSMN1; SMN2

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 8 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

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 IDO1 1621/4885ALDH1A1 480/4885HPGD 934/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC IDO1 1621/4885ALDH1A1 480/4885HPGD 934/4885

“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.