SCHEMBL13649286

SCHEMBL13649286

CC1=C(CN)C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
APAF1 O14727 1/20 0.54
MITF O75030 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CDC25B P30305 6/20 0.50
CDC25A P30304 4/20 0.50
TBXAS1 P24557 1/20 0.50
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
S100A4 P26447 5/20 0.48
MAP2K7 O14733 2/20 0.48

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
SCHEMBL13649288 0.84 MAPT (0.51) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL5810540 0.83 TBXAS1 (0.62) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL5820368 0.83 MAPT (0.58) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL4453652 0.81 MAPT (0.49) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL571496 0.81 MAPT (0.56) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL707464 0.79 MAPT (0.54) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL3271230 0.79 AURKA (0.55) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL10446741 0.79 MAPT (0.59) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL571005 0.78 MAPT (0.53) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL12921592 0.77 MAPT (0.55) MAPTKDM4EALDH1A1LMNAHTT

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-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2009-10-01 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-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS CCNA1, MKI67, CCNT1 MAPT 3602/4885KDM4E 2851/4885ALDH1A1 709/4885

“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.