SCHEMBL4052749

SCHEMBL4052749

O=C1C=C(Nc2ccccc2Cl)C(Nc2ccccc2)=NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 6/20 0.40
HTT P42858 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
AURKA O14965 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 2/20 0.39
APAF1 O14727 2/20 0.39
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 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
SCHEMBL4053105 0.94 ALDH1A1 (0.42) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL4053458 0.91 TSHR (0.41) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL4059168 0.86 MAPT (0.50) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL4052609 0.77 IDO1 (0.48) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL4058567 0.75 KMT2A (0.41) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL4058438 0.75 STAT3 (0.42) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL4056980 0.74 NPC1 (0.47) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL3279472 0.72 TDP1 (0.61) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL30902223 0.72 TDP1 (0.61) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL4051680 0.71 BLM (0.50) MAPTNPC1RAB9AKMT2AMEN1

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 MAPT 3965/4885NPC1 4539/4885RAB9A 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.