SCHEMBL16092968

SCHEMBL16092968

COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=[N+]=[N-]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ MIF P14174 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL14270273 1.00 GAA (0.43) GAAKMT2AMEN1LMNAMIF
SCHEMBL16788843 0.84 CYP2C19 (0.44) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL16092975 0.84 CYP2C19 (0.44) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL16092976 0.83 ALDH1A1 (0.45) GAAKMT2AMEN1LMNAALDH1A1
SCHEMBL16788844 0.83 ALDH1A1 (0.45) GAAKMT2AMEN1LMNAALDH1A1
SCHEMBL14270257 0.83 LMNA (0.45) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL24534585 0.82 LDHA (0.51) KMT2AMIFHTT
SCHEMBL24534564 0.82 MIF (0.60) KMT2AMEN1MIFRAB9ANPC1
SCHEMBL24534570 0.82 MIF (0.60) KMT2AMEN1MIFRAB9ANPC1
SCHEMBL27181486 0.82 LDHA (0.51) KMT2AMIFHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 — — US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 — — US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 — — 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 (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-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 GAA 2023/4885KMT2A 4556/4885MEN1 428/4885

“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.

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