SCHEMBL7005533

SCHEMBL7005533

c1ccc(C(c2ccccc2)(c2ccccc2)N2CCNc3ccccc3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
HPGD P15428 1/20 0.37
AHR P35869 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACHE P22303 1/20 0.32
CYP2B6 P20813 1/20 0.32
DPP4 P27487 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL10241074 0.80 MAPK1 (0.54) MAPK1HPGDAHRBRD4CREBBP
SCHEMBL518700 0.77 L3MBTL1 (0.41) HPGDHSD17B10CYP2B6CYP11B1CYP11B2
SCHEMBL30915985 0.74 MAOA (0.48) MAPK1ALOX15
SCHEMBL569963 0.71 SIGMAR1 (0.48) HPGDHSD17B10CYP2B6
SCHEMBL2849413 0.70 MAOA (0.53) MAPK1HPGDAHRBRD4CREBBP
SCHEMBL14433009 0.70 MAPK1 (0.47) MAPK1HPGDAHRBRD4CREBBP
SCHEMBL8411629 0.70 SIGMAR1 (0.47) HPGDHSD17B10CYP2B6
SCHEMBL9090858 0.70 SIGMAR1 (0.47) HPGDHSD17B10CYP2B6
SCHEMBL2818152 0.69 MAPK1 (0.63) MAPK1HPGDAHRBRD4CREBBP
SCHEMBL30797996 0.68 CHRM3 (0.33) CYP2B6CYP11B1CYP11B2

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 MAPK1 1694/4885HPGD 267/4885AHR 3048/4885

“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.