SCHEMBL712167

SCHEMBL712167

O=C1c2ccccc2C(=O)c2c1ccc1nc(CN3CCN(c4ccccn4)CC3)[nH]c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.59
DRD2 P14416 5/20 0.59
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
OPRK1 P41145 2/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
PARP1 P09874 1/20 0.43
DRD3 P35462 3/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
KMT2A Q03164 2/20 0.43
GRM2 Q14416 1/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR1A P08908 2/20 0.42

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
SCHEMBL712439 0.90 DRD4 (0.60) DRD4DRD2KDM4EALDH1A1OPRK1
SCHEMBL712030 0.90 DRD4 (0.57) DRD4DRD2KDM4EALDH1A1OPRK1
SCHEMBL719451 0.85 DRD4 (0.56) DRD4ALDH1A1PARP1MAPTHSD17B10
SCHEMBL716624 0.83 GAA (0.47) DRD4KDM4EALDH1A1KMT2AMAPT
SCHEMBL710529 0.83 ADORA2A (0.45) ALDH1A1KMT2AMAPT
SCHEMBL719983 0.83 L3MBTL1 (0.54) DRD4ALDH1A1SIGMAR1KMT2AMAPT
SCHEMBL713856 0.83 HTT (0.52) KDM4EALDH1A1MAPTHSD17B10
SCHEMBL713735 0.83 HTT (0.52) KDM4EALDH1A1MAPTHSD17B10
SCHEMBL709933 0.82 DRD4 (0.59) DRD4DRD2KDM4EALDH1A1ADRA1D
SCHEMBL712820 0.81 TERT (0.45) DRD4KDM4EALDH1A1KMT2AMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124637-B2 Anthra [1, 2-d]imidazole-6,11-dione derivatives, preparation method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-02-28 US claimed
US-8124637-B2 Anthra [1, 2-d]imidazole-6,11-dione derivatives, preparation method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-02-28 US disclosed
US-8124637-B2 Anthra [1, 2-d]imidazole-6,11-dione derivatives, preparation method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-02-28 US disclosed
US-8124637-B2 Anthra [1, 2-d]imidazole-6,11-dione derivatives, preparation method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-02-28 US disclosed
US-20110207719-A1 Novel Anthra [1, 2-d]imidazole-6,11-dione Derivatives, Preparation Method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2011-08-25 US disclosed
US-20110207719-A1 Novel Anthra [1, 2-d]imidazole-6,11-dione Derivatives, Preparation Method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2011-08-25 US disclosed
US-20110207719-A1 Novel Anthra [1, 2-d]imidazole-6,11-dione Derivatives, Preparation Method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2011-08-25 US 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-20110207719-A1 Novel Anthra [1, 2-d]imidazole-6,11-dione Derivatives, Preparation Method and application thereof TERT, ACIN1, AK2 DRD4 4382/4885DRD2 4200/4885KDM4E 1004/4885

“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.