SCHEMBL10045797

SCHEMBL10045797

COC(=O)c1nc(-c2cccc(-c3coc(C(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)NC(=O)OCc4ccccc4)n3)n2)oc1CCN(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
TACR1 P25103 1/20 0.33
MAPT P10636 1/20 0.33
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
CTSL P07711 2/20 0.31
CTSB P07858 2/20 0.31
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
ELANE P08246 1/20 0.30
GHSR Q92847 1/20 0.30

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
SCHEMBL10045799 0.95 ATM (0.33) ATMTACR1MAPTITGB3ITGA2B
SCHEMBL14392010 0.92 ATM (0.37) ATMTACR1MAPTITGB3ITGA2B
SCHEMBL800979 0.88 ATM (0.39) ATMTACR1MAPTCTSLCTSB
SCHEMBL800436 0.87 ATM (0.32) ATM
SCHEMBL10045796 0.86 KDM4E (0.32) ALDH1A1
SCHEMBL801050 0.82 ATM (0.40) ATMTACR1MAPTCTSLCTSB
SCHEMBL10045789 0.80 ATM (0.41) ATMTACR1MAPTCTSLCTSB
SCHEMBL10045785 0.70 ATM (0.41) ATMTACR1MAPTCTSLCTSB
SCHEMBL15924777 0.66 KYNU (0.53) ATMCTSLCTSBCTSSCTSK
SCHEMBL15924778 0.66 KYNU (0.53) ATMCTSLCTSBCTSSCTSK

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-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

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-20090156627-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, RECQL ATM 1305/4885TACR1 2933/4885MAPT 1974/4885

“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.