SCHEMBL21477545

SCHEMBL21477545

CC(=O)Oc1ccc2c(c1[N+](=O)[O-])C(=O)OC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.43
ALDH1A1 P00352 4/20 0.39
NCEH1 Q6PIU2 1/20 0.39
TYMS P04818 1/20 0.38
KMT2A Q03164 6/20 0.37
MAPT P10636 5/20 0.37
MEN1 O00255 5/20 0.37
NPC1 O15118 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 3/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
PIM1 P11309 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
VCP P55072 1/20 0.36

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
SCHEMBL31305176 1.00 RECQL (0.43) RECQLALDH1A1NCEH1TYMSKMT2A
SCHEMBL5864493 0.78 ADORA3 (0.46) RECQLALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL2432747 0.75 PIM1 (0.53) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL2176042 0.74 KDM4E (0.50) RECQLALDH1A1TYMSKMT2AMAPT
SCHEMBL19585641 0.74 ALDH1A1 (0.59) RECQLALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL15440586 0.74 ALDH1A1 (0.46) ALDH1A1MAPTNPC1SMN1; SMN2RAB9A
SCHEMBL21402707 0.73 CYP19A1 (0.44) KMT2AMAPTMEN1NPC1SMN1; SMN2
SCHEMBL31305190 0.72 RECQL (0.43) RECQLALDH1A1KMT2AMAPTMEN1
SCHEMBL11654706 0.71 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTMEN1NPC1
SCHEMBL823831 0.71 SMN1; SMN2 (0.43) RECQLALDH1A1NCEH1KMT2AMAPT

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-20190315775-A1 MODIFIED PHENYLPHTHALIMIDE AND PHARMACEUTICAL COMPOSITION HAVING SAME AS ACTIVE INGREDIENT KEIO UNIVERSITY (JP) 2019-10-17 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-20190315775-A1 MODIFIED PHENYLPHTHALIMIDE AND PHARMACEUTICAL COMPOSITION HAVING SAME AS ACTIVE INGREDIENT HNRNPL, HNRNPLL, CCNL2 RECQL 1574/4885ALDH1A1 2073/4885NCEH1 3823/4885

“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.