SCHEMBL805246

SCHEMBL805246

CC(C)C1NC(=O)c2coc(n2)C(C(C)C)NC(=O)c2coc(n2)C(C(C)C)NC(=O)c2coc(n2)C(C(C)C)NC(=O)c2coc1n2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.49
TERT O14746 4/20 0.42
CPB2 Q96IY4 2/20 0.40
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 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
Hexaoxazole Divaline SCHEMBL800953 0.92 TERT (0.52) ABCB1TERTCPB2
SCHEMBL805228 0.87 TERT (0.45) ABCB1TERTCPB2
SCHEMBL800528 0.83 TERT (0.56) ABCB1TERTCPB2
SCHEMBL14392127 0.81 TERT (0.41) ABCB1TERTCPB2
SCHEMBL12299199 0.78 TERT (0.40) ABCB1TERTCPB2
SCHEMBL800811 0.78 TERT (0.81) ABCB1TERTCPB2
SCHEMBL12299241 0.78 TERT (0.40) ABCB1TERTCPB2
SCHEMBL12299101 0.77 TERT (0.40) ABCB1TERTCPB2
SCHEMBL12299111 0.77 TERT (0.40) ABCB1TERTCPB2
SCHEMBL800928 0.77 TERT (0.44) ABCB1TERT

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 5 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-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 ABCB1 260/4885TERT 113/4885CPB2 4537/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 ABCB1 249/4885TERT 141/4885CPB2 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.