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SCHEMBL805170

SCHEMBL805170

CC(C)C1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)C(CCCCNC(=O)OC(C)(C)C)NC(=O)c2coc(n2)-c2coc(n2)-c2coc1n2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 4/20 0.52
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ CPB2 Q96IY4 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ MIF P14174 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2B6 P20813 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL10045828 0.93 TERT (0.60) TERTABCG2TDP1MAPTMAOA
SCHEMBL800516 0.90 TERT (0.56) TERTABCG2TDP1MAPTCA12
SCHEMBL800910 0.70 TERT (1.00) TERTCPB2
SCHEMBL10072678 0.69 TERT (0.66) TERTCPB2
SCHEMBL12299110 0.67 TERT (0.38) TERTCPB2
SCHEMBL14392127 0.66 TERT (0.41) TERTCPB2
SCHEMBL22962076 0.65 ABCG2 (0.49) ABCG2NPSR1TDP1MAPTMAOA
SCHEMBL12299101 0.65 TERT (0.40) TERTCPB2
SCHEMBL24569734 0.64 TDP1 (0.48) NPSR1TDP1MAOAMAOBCA12
SCHEMBL11957443 0.64 TDP1 (0.48) NPSR1TDP1MAOAMAOBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 — — US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 — — US disclosed
US-8093235-B2 Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-10 — — US disclosed
US-8093235-B2 Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-10 — — US disclosed
US-20090156627-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-18 — — US disclosed
US-20090156627-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-18 — — 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 (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-20090156627-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, RECQL TERT 113/4885ABCG2 368/4885CPB2 4537/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 TERT 141/4885ABCG2 382/4885CPB2 4586/4885

“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.