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SCHEMBL4986665

SCHEMBL4986665

CCCCN(C(=O)c1cc(OC)c(OC)cc1I)c1ccnc2cc3c(cc12)OCO3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.40
▸ GABRB2 P47870 2/20 0.40
▸ ALDH1A1 P00352 6/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TDP1 Q9NUW8 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ UBE2N P61088 1/20 0.34

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
SCHEMBL240763 0.92 KMT2A (0.42) ALDH1A1MAPTHTTLMNANPSR1
SCHEMBL13993580 0.91 ALDH1A1 (0.39) ALDH1A1HTTLMNANPSR1TDP1
SCHEMBL239478 0.90 KMT2A (0.43) ALDH1A1MAPTHTTLMNANPSR1
SCHEMBL238449 0.90 HTR2C (0.41) ALDH1A1HTTLMNANPSR1TDP1
SCHEMBL243661 0.86 EHMT2 (0.42) TDP1
SCHEMBL4983642 0.86 GABRA1 (0.40) GABRA1GABRB2ALDH1A1MAPTHTT
SCHEMBL242365 0.86 HTR1A (0.38) —
SCHEMBL13993582 0.83 GABRA1 (0.39) GABRA1GABRB2ALDH1A1MAPTHTT
SCHEMBL240824 0.83 ALDH1A1 (0.33) ALDH1A1HTTLMNANPSR1TDP1
SCHEMBL528341 0.82 ALDH1A1 (0.32) ALDH1A1HTTLMNANPSR1TDP1

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 7 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 disclosed
EP-1453812-B1 CYTOTOXIC AGENTS UNIV RUTGERS (US) 2008-08-20 — — EP 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 GABRA1 4859/4885GABRB2 4850/4885ALDH1A1 1935/4885
US-20080090831-A1 CYTOTOXIC AGENTS TOP1, TOP2A, TOP2B GABRA1 4859/4885GABRB2 4850/4885ALDH1A1 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.