SCHEMBL4289564

SCHEMBL4289564

O=C(Nc1ccc2c(c1)C(=O)c1cc(NC(=O)c3ccccc3)ccc1C2=O)c1ccccc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.97
CASP3 P42574 2/20 0.73
MAPT P10636 7/20 0.66
NPC1 O15118 7/20 0.66
RAB9A P51151 7/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
POLB P06746 4/20 0.66
MCL1 Q07820 2/20 0.66
CYP1A2 P05177 2/20 0.66
OPRM1 P35372 1/20 0.66
OPRD1 P41143 1/20 0.66
CTDSP1 Q9GZU7 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
TSHR P16473 1/20 0.66
ALDH1A1 P00352 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
MAOA P21397 1/20 0.63
KCNK3 O14649 1/20 0.62
KCNK9 Q9NPC2 1/20 0.62

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
SCHEMBL25970373 1.00 ACE2 (0.97) ACE2CASP3MAPTNPC1RAB9A
SCHEMBL8528763 0.98 ACE2 (1.00) ACE2CASP3MAPTNPC1RAB9A
SCHEMBL30519331 0.98 ACE2 (1.00) ACE2CASP3MAPTNPC1RAB9A
SCHEMBL24634803 0.86 ACE2 (0.78) ACE2CASP3MAPTNPC1RAB9A
SCHEMBL12857823 0.85 CASP3 (1.00) ACE2CASP3MEN1KMT2APOLB
SCHEMBL12857981 0.85 CASP3 (1.00) ACE2CASP3MEN1KMT2ACTDSP1
SCHEMBL13129741 0.82 ACE2 (0.72) ACE2CASP3MAPTNPC1RAB9A
SCHEMBL22523771 0.82 ACE2 (0.72) ACE2MAPTNPC1RAB9AMEN1
SCHEMBL6264128 0.82 CASP3 (0.86) ACE2CASP3MAPTMEN1KMT2A
SCHEMBL14728767 0.81 ACE2 (0.71) ACE2CASP3MAPTNPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253709-A1 SYNTHESIS, TELOMERASE INHIBITION AND CYTOTOXIC STUDIES ON 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATIVES NATIONAL DEFENSE MEDICAL CENTER (TW) 2009-10-08 US disclosed
US-20090253709-A1 SYNTHESIS, TELOMERASE INHIBITION AND CYTOTOXIC STUDIES ON 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATIVES NATIONAL DEFENSE MEDICAL CENTER (TW) 2009-10-08 US disclosed
US-20090253709-A1 SYNTHESIS, TELOMERASE INHIBITION AND CYTOTOXIC STUDIES ON 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATIVES NATIONAL DEFENSE MEDICAL CENTER (TW) 2009-10-08 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-20090253709-A1 SYNTHESIS, TELOMERASE INHIBITION AND CYTOTOXIC STUDIES ON 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATIVES TERT, NAT10, POT1 ACE2 2449/4885CASP3 916/4885MAPT 4711/4885

“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.