SCHEMBL7004728

SCHEMBL7004728

O=c1[nH]c(=O)n2c3c(cccc13)C(O)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
JAK3 P52333 4/20 0.36
ADRB2 P07550 2/20 0.36
OPRM1 P35372 2/20 0.35
HDAC6 Q9UBN7 3/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
STAT5A P42229 1/20 0.33
ZAP70 P43403 1/20 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
SCHEMBL7001177 0.85 ADRB2 (0.44) HTR1ADRD2DRD3JAK3ADRB2
SCHEMBL7005390 0.73 CDK4 (0.53) JAK3ADRB2OPRM1HDAC6CDK4
SCHEMBL7005717 0.71 CDK4 (0.41) HTR1ADRD2DRD3ADRB2OPRM1
SCHEMBL7004557 0.71 CDK4 (0.53) HTR1ADRD2DRD3CDK4CCND1
Hydrochloric Acid SCHEMBL7004798 0.70 CDK4 (0.41) HTR1ADRD2DRD3ADRB2OPRM1
SCHEMBL29654666 0.70 EGLN2 (0.36) HTR1ADRD2DRD3HDAC6HDAC8
Hydrochloric Acid SCHEMBL7001069 0.70 HTR1A (0.71) HTR1ADRD2DRD3
SCHEMBL7002488 0.68 CDK4 (0.39) HTR1ADRD2DRD3ADRB2OPRM1
SCHEMBL7000600 0.68 HTR1A (0.45) HTR1ADRD2DRD3CDK4CCND1
Hydrochloric Acid SCHEMBL7002842 0.67 HTR1A (0.49) HTR1ADRD2DRD3CDK4CCND1

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 HTR1A 135/4885DRD2 1008/4885DRD3 878/4885

“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.