SCHEMBL7004878

SCHEMBL7004878

O=C(NCC1Cc2cccc3c(=O)[nH]c(=O)n(c23)C1)c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.42
HTR1A P08908 2/20 0.39
NAMPT P43490 4/20 0.38
ROCK2 O75116 2/20 0.38
PARP1 P09874 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 1/20 0.37
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36

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
SCHEMBL7002574 0.91 CTSL (0.44) HTR1ANAMPTPARP1KDM4EDRD2
SCHEMBL7003016 0.90 THRB (0.42) HTR1ANAMPTKDM4EMEN1KMT2A
SCHEMBL7005337 0.90 HTR1A (0.38) HTR1APARP1PREPDRD2DRD3
Hydrochloric Acid SCHEMBL7001226 0.87 HDAC3 (0.41) HTR1ANAMPTDRD2DRD3HDAC3
SCHEMBL7003217 0.86 DRD2 (0.41) HTR1ANAMPTKDM4EKMT2ADRD2
SCHEMBL7078596 0.85 KDM4E (0.43) HTR1APARP1KDM4EMEN1KMT2A
SCHEMBL7005191 0.85 PARP1 (0.42) USP30HTR1ANAMPTPARP1KDM4E
SCHEMBL7004553 0.84 DRD2 (0.40) HTR1ANAMPTPARP1DRD2DRD3
SCHEMBL7008105 0.83 MTNR1A (0.50) HTR1ADRD2DRD3
SCHEMBL7006730 0.82 KDM4E (0.44) HTR1ANAMPTKDM4EDRD2DRD3

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 USP30 3715/4885HTR1A 135/4885NAMPT 1122/4885

“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.