SCHEMBL16788843

SCHEMBL16788843

[N-]=[N+]=NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ANPEP P15144 1/20 0.42
▸ ERAP2 Q6P179 1/20 0.42
▸ ERAP1 Q9NZ08 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ AKR1C3 P42330 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
SCHEMBL16092975 1.00 CYP2C19 (0.44) CYP2C19CYP1A2MEN1KMT2ALMNA
SCHEMBL16788844 0.87 ALDH1A1 (0.45) CYP2C19CYP1A2MEN1KMT2ALMNA
SCHEMBL16092976 0.87 ALDH1A1 (0.45) CYP2C19CYP1A2MEN1KMT2ALMNA
SCHEMBL14270257 0.87 LMNA (0.45) CYP2C19CYP1A2MEN1KMT2ALMNA
SCHEMBL16092968 0.84 GAA (0.43) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL14270273 0.84 GAA (0.43) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL24534511 0.80 SLC7A5 (0.50) CA2POLB
SCHEMBL24534512 0.80 SLC7A5 (0.50) CA2POLB
SCHEMBL13853189 0.80 CYP1A2 (0.50) CYP1A2ALDH1A1SMN1; SMN2NPSR1
SCHEMBL32665976 0.80 CYP1A2 (0.50) CYP1A2ALDH1A1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 — — 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 CYP2C19 416/4885CYP1A2 1041/4885MEN1 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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