Sugi Predict

Sugi Predict / Compounds / SCHEMBL3040569

SCHEMBL3040569

SCHEMBL3040569

CNC(=O)[C@H]1CN(c2ccc3c(c2)OCCc2c(OC)n[nH]c2-3)C(=O)O1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ TGFBR1 P36897 2/20 0.33
▸ ACVR1 Q04771 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3038300 0.91 SIGMAR1 (0.34) SIGMAR1KMT2ATGFBR1ACVR1ALDH1A1
SCHEMBL3035586 0.91 MAOA (0.41) SIGMAR1KMT2ATGFBR1ACVR1ALDH1A1
SCHEMBL3048193 0.88 ALDH1A1 (0.34) SIGMAR1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL3039037 0.88 MAOA (0.33) KMT2AALDH1A1MAOA
SCHEMBL3041355 0.87 HTR6 (0.34) KMT2AMEN1MAOA
SCHEMBL3043352 0.87 MAOA (0.36) SIGMAR1MAOA
SCHEMBL13515545 0.83 MAOA (0.33) KMT2AMAOA
SCHEMBL13515922 0.82 — —
SCHEMBL3048133 0.81 MAOA (0.36) SIGMAR1KMT2AMAPTMAOAPOLB
SCHEMBL3042185 0.80 MAOA (0.41) KMT2AMAOAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY 2004-07-29 — — US claimed
US-7645781-B2 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PFIZER INC (US) 2010-01-12 — — US disclosed
US-7645781-B2 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PFIZER INC (US) 2010-01-12 — — US disclosed
US-7645781-B2 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PFIZER INC (US) 2010-01-12 — — US disclosed
US-20070015801-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives THOMAS RICHARD C 2007-01-18 — — US disclosed
US-20070015801-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives THOMAS RICHARD C 2007-01-18 — — US disclosed
US-20070015801-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives THOMAS RICHARD C 2007-01-18 — — US disclosed
US-7141588-B2 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PFIZER, INC. (US) 2006-11-28 — — US disclosed
US-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY 2004-07-29 — — 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-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 SIGMAR1 1597/4885KMT2A 1273/4885TGFBR1 4646/4885
US-20070015801-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 SIGMAR1 1597/4885KMT2A 1273/4885TGFBR1 4646/4885

“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.