SCHEMBL713071

SCHEMBL713071

O=C1c2ccccc2C(=O)c2c1ccc1nc(CNCc3ccccc3C(F)(F)F)[nH]c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
DPP4 P27487 1/20 0.34
MPO P05164 1/20 0.33
MAOA P21397 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL10044137 0.84 ALDH1A1 (0.39) ALDH1A1TDP1LMNAALOX15CASP1
SCHEMBL713187 0.83 TRPV1 (0.39) ALDH1A1LMNAHTTMAOAMEN1
SCHEMBL712027 0.81 CNR2 (0.40) ALDH1A1TDP1ATMMEN1KMT2A
SCHEMBL711990 0.78 MAPT (0.39) ALDH1A1TDP1LMNAALOX15CASP1
SCHEMBL716195 0.74 MAPK1 (0.45) ALDH1A1LMNAHSD17B10KDM4EMEN1
SCHEMBL10071932 0.73 TNKS2 (0.47) ALDH1A1LMNAALOX15HSD17B10HTT
SCHEMBL711986 0.73 MAOA (0.43) ALDH1A1TDP1LMNAALOX15HSD17B10
SCHEMBL712815 0.73 MAPT (0.40) ALDH1A1TDP1LMNAHTTKDM4E
SCHEMBL713014 0.71 MAOA (0.41) PDE10AALDH1A1TDP1LMNAALOX15
SCHEMBL712224 0.70 MAPT (0.41) ALDH1A1TDP1LMNAHSD17B10HTT

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 5 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-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 PDE10A 1784/4885ALDH1A1 267/4885TDP1 522/4885

“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.