SCHEMBL16068261

SCHEMBL16068261

O=C1c2ccccc2C(=O)N1CCCCn1cc(-c2cccc([N+](=O)[O-])c2)nn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 8/20 0.53
NFE2L2 Q16236 8/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
HSP90AB1 P08238 2/20 0.48
KMT2A Q03164 3/20 0.48
PRMT5 O14744 1/20 0.48
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 1/20 0.46
NAMPT P43490 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTPRC P08575 1/20 0.45

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
SCHEMBL16068166 0.83 KEAP1 (0.56) KEAP1NFE2L2KMT2APRMT5MEN1
SCHEMBL19086277 0.82 HSP90AB1 (0.52) HSP90AB1KMT2AMEN1NAMPT
SCHEMBL6038205 0.81 NAMPT (0.60) HSP90AB1KMT2AMEN1NAMPT
SCHEMBL27088356 0.77 KEAP1 (0.62) KEAP1NFE2L2SMN1; SMN2KMT2APRMT5
SCHEMBL28605137 0.76 MEN1 (0.65) KEAP1NFE2L2SMN1; SMN2KMT2APRMT5
SCHEMBL6620808 0.72 SIGMAR1 (0.60) KMT2AMEN1ALDH1A1NPSR1GAA
SCHEMBL5151263 0.71 RAB9A (0.58) SMN1; SMN2KMT2AMEN1ALDH1A1NPSR1
SCHEMBL29758636 0.71 TSHR (0.65) SMN1; SMN2KMT2AMEN1ALDH1A1CYP3A4
SCHEMBL4960591 0.71 CYP2C19 (0.59) SMN1; SMN2KMT2AMEN1ALDH1A1NPSR1
SCHEMBL7030199 0.70 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1NPSR1GAACYP3A4

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-9751908-B2 Convergent processes for preparing macrolide antibacterial agents CEMPRA PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-9751908-B2 Convergent processes for preparing macrolide antibacterial agents CEMPRA PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-20160046660-A1 CONVERGENT PROCESSES FOR PREPARING MACROLIDE ANTIBACTERIAL AGENTS TETARD, INC. 2016-02-18 US disclosed
US-20160046660-A1 CONVERGENT PROCESSES FOR PREPARING MACROLIDE ANTIBACTERIAL AGENTS TETARD, INC. 2016-02-18 US disclosed
WO-2014145210-A1 CONVERGENT PROCESSES FOR PREPARING MACROLIDE ANTIBACTERIAL AGENTS CEMPRA PHARMACEUTICALS, INC. (US) 2014-09-18 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-20160046660-A1 CONVERGENT PROCESSES FOR PREPARING MACROLIDE ANTIBACTERIAL AGENTS COASY, TKT, CYP51A1 KEAP1 2618/4885NFE2L2 4196/4885SMN1; SMN2 3629/4885

“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.