SCHEMBL712341

SCHEMBL712341

O=C1c2ccccc2C(=O)c2c1ccc1nc(CCN3CCN(c4ncccn4)CC3)[nH]c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.47
HTR1A P08908 10/20 0.46
DRD3 P35462 7/20 0.42
DRD2 P14416 7/20 0.42
HTR7 P34969 6/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2C P18825 2/20 0.42
ADRA1A P35348 2/20 0.42
SLC6A2 P23975 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR2A P28223 5/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR6 P50406 4/20 0.41
ABCB11 O95342 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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) DRD4HTR1ADRD3DRD2HTR7
SCHEMBL712030 0.90 DRD4 (0.57) DRD4HTR1ADRD3DRD2SIGMAR1
SCHEMBL712211 0.88 PARP1 (0.53) DRD4HTR1ADRD3DRD2HTR7
SCHEMBL711643 0.86 MAPT (0.43) DRD4HTR1ADRD2HTR7HTR2A
SCHEMBL714063 0.84 MAPT (0.50) HTR1AHTR7ADRA1AMAPTNPSR1
SCHEMBL712167 0.80 DRD4 (0.59) DRD4HTR1ADRD3DRD2HTR7
SCHEMBL719451 0.77 DRD4 (0.56) DRD4HTR1AHTR7MAPTNPSR1
SCHEMBL710529 0.77 ADORA2A (0.45) MAPTNPSR1ALDH1A1
SCHEMBL719983 0.75 L3MBTL1 (0.54) DRD4HTR1AHTR7SIGMAR1MAPT
SCHEMBL713005 0.75 HPGD (0.54) MAPTNPSR1ALDH1A1

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 4382/4885HTR1A 3891/4885DRD3 4248/4885

“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.