SCHEMBL3753062

SCHEMBL3753062

NCC1CN(c2ccc(-c3csc(Cn4cccn4)n3)c(F)c2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.47
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAOA P21397 10/20 0.43

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
SCHEMBL13054673 1.00 CALML3 (0.47) CALML3CYP3A4CYP2D6MAOA
SCHEMBL3750339 0.87 MAOA (0.50) CALML3CYP3A4CYP2D6MAOA
SCHEMBL13054621 0.87 MAOA (0.57) CALML3CYP3A4CYP2D6MAOA
SCHEMBL3749846 0.87 MAOA (0.46) CALML3CYP3A4CYP2D6MAOA
SCHEMBL3749843 0.87 MAOA (0.49) CALML3CYP3A4CYP2D6MAOA
SCHEMBL3762420 0.87 MAOA (0.57) CALML3CYP3A4CYP2D6MAOA
SCHEMBL3749849 0.86 CALML3 (0.44) CALML3CYP3A4CYP2D6MAOA
SCHEMBL13054667 0.85 MAOA (0.48) CALML3CYP3A4CYP2D6MAOA
SCHEMBL13054689 0.85 MAOA (0.46) CALML3CYP3A4CYP2D6MAOA
SCHEMBL4753830 0.80 CALML3 (0.45) CALML3CYP3A4CYP2D6MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298384-A1 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LTD. (IN) 2010-11-25 US disclosed
WO-2008143649-A2 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LIMITED (IN) 2008-11-27 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 (1 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-20100298384-A1 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS OXA1L, MIF, VIP CALML3 4408/4885CYP3A4 836/4885CYP2D6 195/4885

“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.