SCHEMBL712439

SCHEMBL712439

O=C1c2ccccc2C(=O)c2c1ccc1nc(CCN3CCN(c4ccccn4)CC3)[nH]c21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.60
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
DRD2 P14416 5/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
OPRK1 P41145 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HTR1A P08908 4/20 0.46
HTR2A P28223 3/20 0.46
HTR7 P34969 3/20 0.46
HTR6 P50406 2/20 0.46
PARP1 P09874 2/20 0.45
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
DRD3 P35462 4/20 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
SCHEMBL712167 0.90 DRD4 (0.59) DRD4ADRA1DADRA1AADRA1BDRD2
SCHEMBL712341 0.90 DRD4 (0.47) DRD4ADRA1DADRA1AADRA1BDRD2
SCHEMBL712211 0.86 PARP1 (0.53) DRD4ADRA1DADRA1AADRA1BDRD2
SCHEMBL711643 0.85 MAPT (0.43) DRD4DRD2ALDH1A1HTR1AHTR2A
SCHEMBL714063 0.82 MAPT (0.50) ADRA1DADRA1AADRA1BALDH1A1HTR1A
SCHEMBL712030 0.80 DRD4 (0.57) DRD4DRD2KDM4EALDH1A1CYP3A4
SCHEMBL719451 0.76 DRD4 (0.56) DRD4ALDH1A1HTR1AHTR7PARP1
SCHEMBL710529 0.75 ADORA2A (0.45) ALDH1A1POLB
SCHEMBL719983 0.73 L3MBTL1 (0.54) DRD4ALDH1A1SIGMAR1HTR1AHTR7
SCHEMBL716624 0.73 GAA (0.47) DRD4KDM4EALDH1A1POLB

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 4382/4885ADRA1D 1876/4885ADRA1A 1666/4885

“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.