SCHEMBL22327196

SCHEMBL22327196

CNCCNC(=O)c1cccc(OCC(N=[N+]=[N-])OCCOCC(=O)NCC#CC(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAOB P27338 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ SMPD1 P17405 3/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ HDAC3 O15379 1/20 0.32

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
SCHEMBL25753752 0.93 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL26167764 0.92 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL26010471 0.92 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL25753972 0.91 GAA (0.37) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL26167941 0.91 MAOB (0.41) ALDH1A1SMN1; SMN2KMT2AMAOBMEN1
SCHEMBL24346424 0.89 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL25571178 0.89 KMT2A (0.44) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL21575546 0.87 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL21307969 0.86 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL23106220 0.86 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2GAAMAPTKMT2A

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-10738072-B1 Nucleotide analogues Singular Genomics Systems, Inc. (US) 2020-08-11 — — 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-10738072-B1 Nucleotide analogues NUDT1, POLN, TYMP ALDH1A1 1629/4885SMN1; SMN2 1337/4885GAA 759/4885

“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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