SCHEMBL4984487

SCHEMBL4984487

COc1cc2c(=O)n(CC(C)C)c3c4cc5c(cc4nnc3c2cc1OC)OCO5

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.44
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDE5A O76074 6/20 0.40
MPO P05164 1/20 0.38
TDP2 O95551 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
THRB P10828 1/20 0.36
ABCC1 P33527 1/20 0.36
TNF P01375 1/20 0.36
LITAF Q99732 1/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL13993589 0.90 TDP1 (0.47) TDP1MEN1ALDH1A1KMT2ANPSR1
SCHEMBL4981984 0.85 TDP1 (0.48) TDP1MEN1ALDH1A1KMT2ATDP2
SCHEMBL240616 0.84 TDP1 (0.64) TDP1PDE5ATDP2ABCC1
SCHEMBL29911473 0.84 TDP1 (0.64) TDP1PDE5ATDP2ABCC1
SCHEMBL15602618 0.84 TDP1 (0.47) TDP1MEN1KMT2APDE5ATDP2
SCHEMBL13996247 0.84 TDP1 (0.40) TDP1MEN1ALDH1A1KMT2ANPSR1
SCHEMBL243190 0.83 TDP1 (0.47) TDP1ALDH1A1KMT2APDE5ATDP2
SCHEMBL241722 0.83 TDP1 (0.46) TDP1MEN1ALDH1A1KMT2ANPSR1
SCHEMBL16501190 0.83 TDP1 (0.46) TDP1MEN1ALDH1A1KMT2ANPSR1
SCHEMBL243528 0.82 TDP1 (0.52) TDP1MEN1ALDH1A1KMT2APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468366-B2 Cytotoxic agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2008-12-23 US claimed
US-20080090831-A1 CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-04-17 US claimed
US-20050009825-A1 Cytotoxic agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2005-01-13 US claimed
EP-1453812-A2 CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2004-09-08 EP claimed
WO-2003041653-A2 CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY (US) 2003-05-22 WO claimed
US-7468366-B2 Cytotoxic agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2008-12-23 US disclosed
US-20080090831-A1 CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-04-17 US disclosed
US-7319105-B2 Methylenedioxy-fused heterocycles, especially 8,10-dioxa-4,5,6,12-tetraaza-cyclopenta[b]chrysen-13-ones; 8,10-dioxa-1,4,5,6,12-pentaaza-cyclopenta[b]chrysen-13-ones; 8,10,12-trioxa-5,6-diaza-cyclopenta[b]chrysenes; and 8,10,12-trioxa-6-aza-cyclopenta[b]chrysenes; topoisomerase inhibitors; treating cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2008-01-15 US disclosed
US-20050009825-A1 Cytotoxic agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2005-01-13 US disclosed
EP-1453812-A2 CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2004-09-08 EP disclosed
WO-2003041653-A2 CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY (US) 2003-05-22 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 (2 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-20050009825-A1 Cytotoxic agents TOP1, TOP2A, TOP2B TDP1 7/4885MEN1 1748/4885ALDH1A1 1935/4885
US-20080090831-A1 CYTOTOXIC AGENTS TOP1, TOP2A, TOP2B TDP1 7/4885MEN1 1748/4885ALDH1A1 1935/4885

“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.