SCHEMBL713005

SCHEMBL713005

O=C1c2ccccc2C(=O)c2c1ccc1nc(CN3CCOCC3)[nH]c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
TERT O14746 3/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPY5R Q15761 1/20 0.41
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL713735 0.88 HTT (0.52) HPGDALDH1A1L3MBTL1HSD17B10MAPT
SCHEMBL713856 0.88 HTT (0.52) HPGDALDH1A1L3MBTL1HSD17B10MAPT
SCHEMBL719451 0.87 DRD4 (0.56) ALDH1A1L3MBTL1HSD17B10MAPTNPSR1
SCHEMBL712820 0.86 TERT (0.45) HPGDALDH1A1L3MBTL1HSD17B10MAPT
SCHEMBL710529 0.86 ADORA2A (0.45) HPGDALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL716624 0.86 GAA (0.47) HPGDALDH1A1L3MBTL1HSD17B10MAPT
SCHEMBL719983 0.86 L3MBTL1 (0.54) ALDH1A1L3MBTL1HSD17B10MAPTNPSR1
SCHEMBL712433 0.86 NPY5R (0.45) HPGDALDH1A1L3MBTL1HSD17B10MAPT
SCHEMBL714240 0.85 TERT (0.51) HPGDALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL712030 0.85 DRD4 (0.57) ALDH1A1L3MBTL1MAPTKDM4ENPSR1

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 6 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 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 HPGD 617/4885ALDH1A1 267/4885L3MBTL1 4501/4885

“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.