Sugi Predict

Sugi Predict / Compounds / SCHEMBL348633

SCHEMBL348633

SCHEMBL348633

C=CCCN1CCN(c2nc(C)c(C(=O)OCC)s2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ SCD O00767 11/20 0.44
▸ HPGD P15428 3/20 0.39
▸ POLB P06746 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CDC7 O00311 1/20 0.37
▸ DBF4 Q9UBU7 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL244362 0.88 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTSCD
SCHEMBL346808 0.86 SCD (0.47) ALDH1A1MAPTSCDHPGDKDM4E
SCHEMBL241072 0.85 SCD (0.56) ALDH1A1MEN1KMT2AMAPTSCD
SCHEMBL244610 0.85 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTSCD
SCHEMBL244258 0.84 SCD (0.53) ALDH1A1MEN1KMT2AMAPTSCD
SCHEMBL243521 0.83 SCD (0.47) ALDH1A1MEN1KMT2AMAPTSCD
SCHEMBL348691 0.82 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTSCD
SCHEMBL348987 0.81 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTSCD
SCHEMBL349224 0.81 SCD (0.46) ALDH1A1MEN1KMT2AMAPTSCD
SCHEMBL241579 0.80 SCD (0.56) ALDH1A1MEN1KMT2AMAPTSCD

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-8318949-B2 Organic compounds NOVARTIS AG (CH) 2012-11-27 — — US disclosed
US-20120014906-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-19 — — US disclosed
US-20120014906-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-19 — — US disclosed
US-20120014906-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-19 — — US disclosed
US-8049016-B2 Thiazole derivatives which inhibit stearoyl-CoA desaturase enzymes NOVARTIS AG (CH) 2011-11-01 — — US disclosed
US-8049016-B2 Thiazole derivatives which inhibit stearoyl-CoA desaturase enzymes NOVARTIS AG (CH) 2011-11-01 — — US disclosed
US-8049016-B2 Thiazole derivatives which inhibit stearoyl-CoA desaturase enzymes NOVARTIS AG (CH) 2011-11-01 — — US disclosed
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 — — US disclosed
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 — — US disclosed
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 — — 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-20120014906-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 ALDH1A1 451/4885MEN1 4876/4885KMT2A 2098/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 ALDH1A1 451/4885MEN1 4876/4885KMT2A 2098/4885

“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.