SCHEMBL800516

SCHEMBL800516

CCCCCC1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)C(CCCCNC(=O)OC(C)(C)C)NC(=O)c2coc(n2)-c2coc(n2)-c2coc1n2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 4/20 0.56
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
CA12 O43570 4/20 0.33
CA9 Q16790 4/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MIF P14174 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP3A43 Q9HB55 1/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
MAPT P10636 1/20 0.32

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 0.96 TERT (0.60) TERTMEN1KMT2ATDP1CA1
SCHEMBL805170 0.90 TERT (0.52) TERTMEN1KMT2ATDP1CA1
SCHEMBL800910 0.73 TERT (1.00) TERT
SCHEMBL178408 0.67 TDP1 (0.70) MEN1LMNATSHRKMT2ATDP1
SCHEMBL24569734 0.66 TDP1 (0.48) MEN1LMNATSHRKMT2ATDP1
SCHEMBL11957443 0.66 TDP1 (0.48) MEN1LMNATSHRKMT2ATDP1
SCHEMBL15044727 0.66 TDP1 (0.43) MEN1LMNATSHRKMT2ATDP1
Ammonia Solution, Strong SCHEMBL6805262 0.66 TDP1 (0.68) MEN1LMNATSHRKMT2ATDP1
SCHEMBL16436993 0.66 TDP1 (0.73) MEN1LMNATSHRKMT2ATDP1
SCHEMBL3365771 0.66 TDP1 (0.73) MEN1LMNATSHRKMT2ATDP1

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 2 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

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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 TERT 141/4885MEN1 1717/4885LMNA 442/4885

“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.