SCHEMBL6852445

SCHEMBL6852445

N=C(N)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
DNMT1 P26358 1/20 0.53
RAD52 P43351 1/20 0.53
SMARCA2 P51531 1/20 0.53
TERT O14746 9/20 0.51
MAPK1 P28482 2/20 0.48
RAB9A P51151 2/20 0.48
APEX1 P27695 1/20 0.48
NPC1 O15118 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PTPRC P08575 1/20 0.47
PTPN13 Q12923 1/20 0.47
EGFR P00533 1/20 0.47

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
SCHEMBL6852578 0.86 TERT (0.41) MAOAMAPTMEN1ALDH1A1KMT2A
SCHEMBL5560042 0.83 MAOA (0.64) MAOAMAPTMEN1ALDH1A1KMT2A
SCHEMBL14579485 0.77 MAOA (0.65) MAOAMAPTMEN1ALDH1A1KMT2A
SCHEMBL8602265 0.77 MAOA (0.69) MAOAMAPTMEN1ALDH1A1KMT2A
SCHEMBL3381039 0.77 MAOA (0.65) MAOAMAPTMEN1ALDH1A1KMT2A
SCHEMBL5563589 0.77 MAOA (0.55) MAOAMAPTMEN1ALDH1A1KMT2A
SCHEMBL6849448 0.76 MAOA (0.59) MAOAMAPTMEN1ALDH1A1KMT2A
SCHEMBL28242391 0.76 TTR (0.43) MAOAMAPTMEN1ALDH1A1KMT2A
SCHEMBL11549167 0.76 MAOA (0.72) MAOAMAPTMEN1ALDH1A1KMT2A
SCHEMBL14240478 0.75 TERT (0.53) MAOAMAPTMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777564-B2 AS ANTITUMOR AGENTS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2004-08-17 US claimed
US-20030149092-A1 Anthraquinone compound INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2003-08-07 US claimed
US-6777564-B2 AS ANTITUMOR AGENTS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2004-08-17 US disclosed
US-20030149092-A1 Anthraquinone compound INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2003-08-07 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-20030149092-A1 Anthraquinone compound ANTXR2, AAAS, H1-0 MAOA 2399/4885MAPT 4646/4885MEN1 713/4885

“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.