SCHEMBL22483069

SCHEMBL22483069

[N-]=[N+]=NC(I)(CC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CDC25B P30305 1/20 0.37
LMNA P02545 3/20 0.37
HCAR2 Q8TDS4 1/20 0.37
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL22305180 0.77 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL6870640 0.76 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL22305184 0.76 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL9456870 0.73 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL21594245 0.72 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL8762490 0.72 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL28371763 0.72 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL6868590 0.71 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL26908727 0.71 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL4413332 0.70 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1TDP1KMT2A

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-20200306253-A1 Therapeutic Modulators of the Reverse Mode of ATP Synthase FORREST MICHAEL DAVID (GB) 2020-10-01 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-20200306253-A1 Therapeutic Modulators of the Reverse Mode of ATP Synthase ATP5ME, ATP5F1A, ATP5MG ALDH1A1 925/4885MAPK1 3035/4885L3MBTL1 3403/4885

“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.