SCHEMBL3040795

SCHEMBL3040795

NC(=O)[C@H]1CN(c2ccc(-c3ccc(-n4ccnn4)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 17/20 0.55
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.49
CALML3 P27482 1/20 0.48

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
SCHEMBL27573522 0.88 MAOA (0.55) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL3035160 0.88 CALML3 (0.48) MAOACYP3A4CYP2D6CALML3
SCHEMBL3042060 0.88 MAOA (0.47) MAOACYP3A4CYP2C9CALML3
SCHEMBL1380456 0.86 MAOA (0.66) MAOACYP3A4CYP2D6CALML3
SCHEMBL14852816 0.86 MAOA (0.66) MAOACYP3A4CYP2D6CALML3
SCHEMBL3032598 0.84 CALML3 (0.48) MAOACYP3A4CYP2C9CALML3
SCHEMBL3043488 0.84 CALML3 (0.49) MAOACYP2C9CALML3
SCHEMBL1556127 0.83 MAOA (0.77) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL12605351 0.83 MAOA (0.56) MAOACYP3A4CYP2D6CYP2C9CALML3
SCHEMBL6691366 0.82 MAOA (0.54) MAOACYP3A4CYP2D6CYP2C9CALML3

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-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-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 MAOA 957/4885CYP3A4 582/4885CYP2D6 340/4885
US-20070015801-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 MAOA 957/4885CYP3A4 582/4885CYP2D6 340/4885

“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.