SCHEMBL22624751

SCHEMBL22624751

COC(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.69
FNTB P49356 1/20 0.69
CA1 P00915 3/20 0.67
CA2 P00918 3/20 0.67
MAOB P27338 1/20 0.57
MAPT P10636 6/20 0.56
ALDH1A1 P00352 4/20 0.56
GAA P10253 2/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PHGDH O43175 1/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49

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
SCHEMBL22624729 0.87 FNTA (0.62) FNTAFNTBCA1CA2MAOB
SCHEMBL12416822 0.87 FNTA (0.65) FNTAFNTBCA1CA2MAOB
SCHEMBL7825489 0.85 FNTA (0.80) FNTAFNTBCA1CA2MAOB
SCHEMBL7825486 0.85 FNTA (0.80) FNTAFNTBCA1CA2MAOB
SCHEMBL22624740 0.84 MAOB (0.67) FNTAFNTBCA1CA2MAOB
SCHEMBL1949783 0.82 FNTA (0.67) FNTAFNTBMAOBMAPTALDH1A1
SCHEMBL1949785 0.82 FNTA (0.67) FNTAFNTBMAOBMAPTALDH1A1
SCHEMBL22624833 0.82 FNTA (0.70) FNTAFNTBMAOBMAPTALDH1A1
SCHEMBL2533095 0.81 CA1 (0.68) CA1CA2MAPTALDH1A1GAA
SCHEMBL2533097 0.81 CA1 (0.68) CA1CA2MAPTALDH1A1GAA

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-20210317076-A9 COMPOUNDS WITH ANTIMICROBIAL ACTIVITY THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2021-10-14 US disclosed
US-20200347010-A1 COMPOUNDS WITH ANTIMICROBIAL ACTIVITY UNIV HONG KONG POLYTECHNIC (CN) 2020-11-05 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 (2 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-20200347010-A1 COMPOUNDS WITH ANTIMICROBIAL ACTIVITY CFTR, FPR3, FPR1 FNTA 3978/4885FNTB 3723/4885CA1 2796/4885
US-20210317076-A9 COMPOUNDS WITH ANTIMICROBIAL ACTIVITY CFTR, FPR3, FPR1 FNTA 3978/4885FNTB 3723/4885CA1 2796/4885

“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.