SCHEMBL7063355

SCHEMBL7063355

O=C1c2ccccc2C(=O)c2c1cccc2N1CCC(CCCC2CCNCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.58
MAPT P10636 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
EGFR P00533 2/20 0.56
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 1/20 0.56
RAF1 P04049 1/20 0.56
ALOX12 P18054 1/20 0.56
MAP2K1 Q02750 1/20 0.56
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 2/20 0.50
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP3A5 P20815 2/20 0.43
CYP3A7 P24462 2/20 0.43

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
SCHEMBL7063245 0.84 MAPT (0.62) TERTMAPTL3MBTL1EGFRMAPK1
SCHEMBL7063665 0.80 MAPT (0.73) MAPTL3MBTL1EGFRMAPK1ALDH1A1
SCHEMBL7060111 0.76 MAPT (0.65) MAPTL3MBTL1EGFRMAPK1ALDH1A1
SCHEMBL6660403 0.75 MAPT (0.69) MAPTL3MBTL1EGFRMAPK1ALDH1A1
SCHEMBL713073 0.74 TERT (0.74) TERTMAPTL3MBTL1TDP1NPSR1
Trifluoroacetic Acid SCHEMBL7065193 0.73 MAPT (0.58) MAPTL3MBTL1EGFRMAPK1ALDH1A1
SCHEMBL2463193 0.73 MAPT (1.00) MAPTL3MBTL1EGFRMAPK1ALDH1A1
Trifluoroacetic Acid SCHEMBL7064986 0.72 MAPT (0.41) MAPTL3MBTL1EGFRMAPK1ALDH1A1
Trifluoroacetic Acid SCHEMBL7061578 0.72 DPP7 (0.52) MAPTL3MBTL1EGFRMAPK1ALDH1A1
SCHEMBL3273424 0.72 MAPT (0.97) MAPTL3MBTL1EGFRMAPK1ALDH1A1

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-20030130272-A1 Anthracene derivatives as anti-cancer agents BTG INTERNATIONAL LIMITED (GB) 2003-07-10 US disclosed
EP-1244624-A1 ANTHRACENE DERIVATIVES AS ANTI-CANCER AGENTS BTG INTERNATIONAL LIMITED (GB) 2002-10-02 EP disclosed
WO-2001044190-A1 ANTHRACENE DERIVATIVES AS ANTI-CANCER AGENTS BTG INTERNATIONAL LIMITED (GB) 2001-06-21 WO 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-20030130272-A1 Anthracene derivatives as anti-cancer agents TOP2B, TOP1, TOP2A TERT 1203/4885MAPT 4884/4885L3MBTL1 2430/4885

“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.