SCHEMBL7003840

SCHEMBL7003840

O=c1[nH]c(=O)n2c3c(cccc13)C(=NO)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR3A P46098 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PARP1 P09874 5/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC6 Q9UBN7 3/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL7003839 1.00 KDM4E (0.38) KDM4ERECQLHPGDNPSR1LMNA
SCHEMBL7001750 0.83 KDM4E (0.42) KDM4EHPGDHTR3APARP1ALDH1A1
SCHEMBL7001754 0.83 KDM4E (0.42) KDM4EHPGDHTR3APARP1ALDH1A1
SCHEMBL7005451 0.81 HTR3A (0.36) KDM4EHPGDLMNAHSD17B10HTR3A
SCHEMBL7005560 0.79 HTR3A (0.35) KDM4EHPGDLMNAHSD17B10HTR3A
SCHEMBL7009158 0.78 NR3C1 (0.35) HPGDLMNAHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL7009160 0.78 NR3C1 (0.35) HPGDLMNAHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL97548 0.76 HTR3A (0.43) KDM4ERECQLHTR3AALDH1A1CYP1A2
SCHEMBL134748 0.76 HTR3A (0.43) KDM4ERECQLHTR3AALDH1A1CYP1A2
SCHEMBL134747 0.76 HTR3A (0.43) KDM4ERECQLHTR3AALDH1A1CYP1A2

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-20030105118-A1 Tricyclic quinazolinediones SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-06-05 US disclosed
EP-1288216-A1 TRICYCLIC QUINAZOLINEDIONES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-03-05 EP 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-20030105118-A1 Tricyclic quinazolinediones PARP1, PARP11, PARP2 KDM4E 2332/4885RECQL 215/4885HPGD 267/4885

“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.