SCHEMBL19749239

SCHEMBL19749239

Cc1cc[n+](CCCS(=O)(=O)[O-])c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.71
▸ ALDH1A1 P00352 5/20 0.71
▸ RXFP1 Q9HBX9 1/20 0.63
▸ POLB P06746 4/20 0.55
▸ MAPT P10636 5/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ RECQL P46063 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ IDE P14735 1/20 0.51
▸ APOBEC3A P31941 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.51
▸ HPGD P15428 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ PABPC1 P11940 1/20 0.43
▸ EIF4H Q15056 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ APEX1 P27695 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HTT P42858 2/20 0.39

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
SCHEMBL4177550 0.96 KDM4E (0.66) KDM4EALDH1A1RXFP1POLBMAPT
SCHEMBL5708457 0.86 KDM4E (0.58) KDM4EALDH1A1RXFP1POLBMAPT
Water SCHEMBL1048309 0.84 KDM4E (0.57) KDM4EALDH1A1RXFP1POLBMAPT
SCHEMBL13645489 0.83 KDM4E (0.64) KDM4EPOLBMAPTRECQLHTT
SCHEMBL1002934 0.82 KDM4E (0.57) KDM4EALDH1A1RXFP1POLBMAPT
SCHEMBL13686278 0.81 KDM4E (0.62) KDM4EPOLBRECQL
SCHEMBL12201138 0.79 KDM4E (0.59) KDM4EALDH1A1POLBMAPTKMT2A
SCHEMBL11579424 0.77 KDM4E (0.51) KDM4EALDH1A1POLBMAPTKMT2A
SCHEMBL19485776 0.77 KDM4E (0.61) KDM4EALDH1A1POLBMAPTKMT2A
SCHEMBL12849714 0.77 KDM4E (0.57) KDM4EALDH1A1POLBMAPTKMT2A

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-10935498-B1 Fluorescent probe for detecting nitroreductase and preparation method and use thereof in enzymatic reaction SOUTH CHINA UNIVERSITY OF TECHNOLOGY (CN) 2021-03-02 — — US disclosed
US-9850382-B1 Unsymmetrical cyanine dyes and their application Ying, Laiqiang (US) 2017-12-26 — — 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-10935498-B1 Fluorescent probe for detecting nitroreductase and preparation method and use thereof in enzymatic reaction POR, CBR3, NQO1 KDM4E 3253/4885ALDH1A1 138/4885RXFP1 2500/4885

“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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