SCHEMBL3045495

SCHEMBL3045495

Cn1c(=O)sc2cc(N3C[C@H](C(=O)O)OC3=O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.40
HTR1A P08908 2/20 0.39
HTR2C P28335 1/20 0.39
ACHE P22303 1/20 0.39
MAOA P21397 2/20 0.38
BCHE P06276 1/20 0.36
CREBBP Q92793 1/20 0.36
CMA1 P23946 1/20 0.35

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
SCHEMBL3035714 0.91 MAOA (0.47) SIGMAR1HTR1AHTR2CACHEMAOA
SCHEMBL5765785 0.88 SIGMAR1 (0.38) SIGMAR1HTR1AHTR2CMAOACREBBP
SCHEMBL3043483 0.88 SIGMAR1 (0.38) SIGMAR1HTR1AHTR2CMAOACREBBP
SCHEMBL5764682 0.85 CNR2 (0.46) MAOA
SCHEMBL5762003 0.85 CNR2 (0.39) SIGMAR1MAOA
SCHEMBL5764064 0.85 SIGMAR1 (0.39) SIGMAR1HTR1AHTR2CMAOA
SCHEMBL3045248 0.85 SIGMAR1 (0.39) SIGMAR1HTR1AHTR2CMAOA
SCHEMBL3040723 0.83 SIGMAR1 (0.37) SIGMAR1HTR1AMAOA
SCHEMBL5763278 0.83 SIGMAR1 (0.37) SIGMAR1HTR1AMAOA
SCHEMBL3042956 0.82 SIGMAR1 (0.37) SIGMAR1HTR1AMAOACREBBP

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-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-7141588-B2 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PFIZER, INC. (US) 2006-11-28 US disclosed
EP-1478629-B1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATIVES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN CO LLC (US) 2006-10-11 EP disclosed
US-6919329-B2 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY (US) 2005-07-19 US disclosed
EP-1478629-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATIVES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY 2004-07-29 US disclosed
US-20040044052-A1 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY 2004-03-04 US disclosed
WO-2003072553-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 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 (3 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 1597/4885HTR1A 3363/4885HTR2C 1127/4885
US-20040044052-A1 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 SIGMAR1 1597/4885HTR1A 3363/4885HTR2C 1127/4885
US-20070015801-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 SIGMAR1 1597/4885HTR1A 3363/4885HTR2C 1127/4885

“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.