SCHEMBL10045796

SCHEMBL10045796

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL10045797 0.86 ATM (0.36) ALDH1A1
SCHEMBL800893 0.84 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14392010 0.77 ATM (0.37) ALDH1A1HSD17B10
SCHEMBL800436 0.74 ATM (0.32)
SCHEMBL10045798 0.68
SCHEMBL800505 0.66
SCHEMBL10045789 0.63 ATM (0.41)
Hydrochloric Acid SCHEMBL31385316 0.62 ALDH1A1 (0.36) ALDH1A1HPGD
SCHEMBL800887 0.61
Hydrochloric Acid SCHEMBL31385329 0.61 SLC6A3 (0.34)

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 3 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
WO-2007127173-A2 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2007-11-08 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 (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 KDM4E 1326/4885ALDH1A1 2075/4885HPGD 3365/4885

“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.