SCHEMBL22624802

SCHEMBL22624802

C#Cc1cccc(/N=C/c2ccc([N+](=O)[O-])cc2O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
MAPT P10636 9/20 0.45
ALDH1A1 P00352 5/20 0.45
GAA P10253 3/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAOB P27338 1/20 0.44
POLB P06746 4/20 0.44
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 3/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ERN1 O75460 1/20 0.39
PTGS2 P35354 1/20 0.39
DUSP3 P51452 1/20 0.38

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
SCHEMBL30633412 0.91 FNTA (0.57) FNTAFNTBMAPTALDH1A1GAA
SCHEMBL14159164 0.91 FNTA (0.57) FNTAFNTBMAPTALDH1A1GAA
SCHEMBL22611881 0.91 FNTA (0.57) FNTAFNTBMAPTALDH1A1GAA
SCHEMBL469487 0.82 FNTA (0.63) FNTAFNTBMAPTALDH1A1GAA
SCHEMBL22624744 0.81 MAPT (0.47) FNTAFNTBMAPTALDH1A1GAA
SCHEMBL14159163 0.81 ALDH1A1 (0.48) MAPTALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL22624799 0.80 PTGS2 (0.56) MAPTALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL14199340 0.80 MAOB (0.39) FNTAFNTBMAPTALDH1A1GAA
SCHEMBL22624781 0.80 ERN1 (0.44) FNTAFNTBMAPTALDH1A1GAA
SCHEMBL22624812 0.80 APAF1 (0.52) MAPTALDH1A1HPGDSMN1; SMN2POLB

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 3723/4885MAPT 4046/4885
US-20210317076-A9 COMPOUNDS WITH ANTIMICROBIAL ACTIVITY CFTR, FPR3, FPR1 FNTA 3978/4885FNTB 3723/4885MAPT 4046/4885

“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.