SCHEMBL7004740

SCHEMBL7004740

O=C(NCC1Cc2cccc3c(=O)[nH]c(=O)n(c23)C1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.46
ACHE P22303 2/20 0.46
BCHE P06276 1/20 0.46
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
ACKR3 P25106 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
SCHEMBL7004149 0.88 PARP1 (0.42) PARP1PARP2
SCHEMBL7009177 0.86 HTR1A (0.42)
SCHEMBL7009570 0.82 ROCK2 (0.42) ROCK2ROCK1
SCHEMBL7008105 0.79 MTNR1A (0.50)
Hydrochloric Acid SCHEMBL7001226 0.75 HDAC3 (0.41)
SCHEMBL7005337 0.72 HTR1A (0.38) PARP1
SCHEMBL7078596 0.71 KDM4E (0.43) PARP1
SCHEMBL7006730 0.71 KDM4E (0.44)
SCHEMBL7005934 0.70 HTR1A (0.42)
SCHEMBL7000642 0.70 DRD2 (0.42)

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 CHRM4 3156/4885ACHE 3205/4885BCHE 3557/4885

“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.