Sugi Predict

Sugi Predict / Compounds / SCHEMBL4158338

SCHEMBL4158338

SCHEMBL4158338

[2H]C1([2H])CN(c2ccc(NC[C@@H](O)CCl)cc2F)CC([2H])([2H])O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HTT P42858 3/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ GAA P10253 5/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ LDHA P00338 1/20 0.34
▸ LDHB P07195 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL13316510 0.91 KDM4E (0.40) L3MBTL1KDM4EHTTNPC1MAPT
SCHEMBL5417803 0.88 HTT (0.49) L3MBTL1KDM4EHTTNPC1MAPT
SCHEMBL2867969 0.88 HTT (0.49) L3MBTL1KDM4EHTTNPC1MAPT
SCHEMBL12126890 0.88 HTT (0.49) L3MBTL1KDM4EHTTNPC1MAPT
SCHEMBL16204410 0.85 MAPT (0.44) L3MBTL1KDM4EHTTNPC1MAPT
SCHEMBL23030168 0.78 HTT (0.49) L3MBTL1KDM4EHTTNPC1MAPT
SCHEMBL15618724 0.78 HTT (0.49) L3MBTL1KDM4EHTTNPC1MAPT
SCHEMBL15623485 0.78 HTT (0.49) L3MBTL1KDM4EHTTNPC1MAPT
SCHEMBL16189751 0.78 NPC1 (0.50) L3MBTL1KDM4EHTTNPC1MAPT
SCHEMBL13875824 0.77 LDHA (0.34) L3MBTL1KDM4EHTTNPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796267-B2 Oxazolidinone derivatives and methods of use CONCERT PHARMACEUTICALS, INC. (US) 2014-08-05 — — US disclosed
US-8354557-B2 Synthesis of deuterated morpholine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2013-01-15 — — US disclosed
US-20100160247-A1 Synthesis of deuterated morpholine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2010-06-24 — — US disclosed
US-20090093422-A1 Oxazolidinone derivatives and methods of use SUN PHARMACEUTICAL INDUSTRIES, INC. 2009-04-09 — — US disclosed
US-20090093422-A1 Oxazolidinone derivatives and methods of use SUN PHARMACEUTICAL INDUSTRIES, INC. 2009-04-09 — — 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-20090093422-A1 Oxazolidinone derivatives and methods of use OXA1L, AQP4, AQP3 L3MBTL1 3644/4885KDM4E 2519/4885HTT 2173/4885
US-20100160247-A1 Synthesis of deuterated morpholine derivatives DRD4, DRD1, DRD2 L3MBTL1 4202/4885KDM4E 2168/4885HTT 928/4885

“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.