SCHEMBL4052609

SCHEMBL4052609

O=C1C=C(Nc2ccc(Cl)cc2)C(Nc2ccc(Cl)cc2)=NC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
CDK4 P11802 1/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
DNM1 Q05193 1/20 0.41
MAPT P10636 6/20 0.39
MT-CO2 P00403 1/20 0.38
ALOX15 P16050 1/20 0.35
MAPK1 P28482 4/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
CASP3 P42574 3/20 0.33
SENP8 Q96LD8 3/20 0.33

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
SCHEMBL4051680 0.83 BLM (0.50) IDO1CDK4KMT2AMEN1DNM1
SCHEMBL4059168 0.83 MAPT (0.50) IDO1CDK4KMT2AMEN1DNM1
SCHEMBL4058567 0.81 KMT2A (0.41) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL4382184 0.80 RAB9A (0.45) KMT2AMEN1DNM1MAPTMAPK1
SCHEMBL4052681 0.80 CDK4 (0.49) IDO1CDK4KMT2AMEN1MAPT
SCHEMBL9647441 0.78 DNM1 (0.63) IDO1CDK4KMT2AMEN1DNM1
SCHEMBL4052749 0.77 MAPT (0.41) IDO1KMT2AMEN1MAPTALOX15
SCHEMBL4053105 0.77 ALDH1A1 (0.42) IDO1CDK4KMT2AMEN1MAPT
SCHEMBL4056980 0.74 NPC1 (0.47) IDO1KMT2AMEN1MAPTMAPK1
SCHEMBL4053458 0.72 TSHR (0.41) KMT2AMEN1MAPTMAPK1KDM4E

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 IDO1 116/4885CDK4 237/4885KMT2A 2390/4885

“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.