SCHEMBL4058438

SCHEMBL4058438

Cc1ccccc1NC1=CC(=O)C(=O)N=C1Nc1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.42
LMNA P02545 3/20 0.42
RAB9A P51151 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
HSP90AA1 P07900 2/20 0.38
MAPT P10636 2/20 0.38
BLM P54132 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSP90AB1 P08238 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
C1R P00736 1/20 0.38
MAPK10 P53779 1/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4053458 0.83 TSHR (0.41) LMNARAB9AMEN1KMT2AL3MBTL1
SCHEMBL4053105 0.75 ALDH1A1 (0.42) LMNARAB9AMEN1KMT2AL3MBTL1
SCHEMBL4052749 0.75 MAPT (0.41) LMNARAB9AMEN1KMT2AL3MBTL1
SCHEMBL4059168 0.73 MAPT (0.50) LMNARAB9AMEN1KMT2AL3MBTL1
SCHEMBL183017 0.66 HTT (0.59) LMNARAB9AMEN1KMT2AL3MBTL1
SCHEMBL29511793 0.66 HTT (0.59) LMNARAB9AMEN1KMT2AL3MBTL1
SCHEMBL4056980 0.66 NPC1 (0.47) LMNARAB9AMEN1KMT2AL3MBTL1
SCHEMBL4052609 0.65 IDO1 (0.48) LMNARAB9AMEN1KMT2AL3MBTL1
SCHEMBL1713041 0.64 HTT (0.56) LMNARAB9AMEN1KMT2AL3MBTL1
Water SCHEMBL8601906 0.64 HTT (0.56) LMNARAB9AMEN1KMT2AL3MBTL1

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-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 US disclosed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 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-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives PTGS2, PTGES2, PTGES STAT3 1323/4885LMNA 3323/4885RAB9A 4115/4885

“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.