SCHEMBL713856

SCHEMBL713856

O=C1c2ccccc2C(=O)c2c1ccc1nc(CN3CCCCC3)[nH]c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TERT O14746 1/20 0.46
HIF1A Q16665 2/20 0.43
ADORA2A P29274 5/20 0.43
ADORA1 P30542 5/20 0.43
EGFR P00533 1/20 0.43
RAF1 P04049 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
MAP2K1 Q02750 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CDC7 O00311 2/20 0.42
ROCK1 Q13464 2/20 0.42
DBF4 Q9UBU7 2/20 0.42
KDR P35968 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
SCHEMBL713735 1.00 HTT (0.52) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL719983 0.88 L3MBTL1 (0.54) HTTALDH1A1HSD17B10TERTMAPT
SCHEMBL710529 0.88 ADORA2A (0.45) HTTALDH1A1HPGDTERTADORA2A
SCHEMBL713005 0.88 HPGD (0.54) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL716624 0.88 GAA (0.47) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL712820 0.88 TERT (0.45) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL714240 0.87 TERT (0.51) HTTALDH1A1KDM4EHPGDTERT
SCHEMBL719451 0.86 DRD4 (0.56) ALDH1A1HSD17B10TERTMAPTL3MBTL1
SCHEMBL713553 0.85 TERT (0.43) HTTALDH1A1HPGDTERTHIF1A
SCHEMBL712030 0.85 DRD4 (0.57) ALDH1A1KDM4ETERTMAPTL3MBTL1

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 HTT 3165/4885ALDH1A1 267/4885KDM4E 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.