SCHEMBL805225

SCHEMBL805225

CC(C)C(NC(=O)c1coc(-c2coc(-c3coc(C(N)CCCCNC(=O)OC(C)(C)C)n3)n2)n1)c1nc(-c2nc(-c3nc(C(=O)O)co3)co2)co1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 2/20 0.42
MAPT P10636 4/20 0.35
SUCNR1 Q9BXA5 4/20 0.35
TDP1 Q9NUW8 5/20 0.34
ATM Q13315 2/20 0.34
NPSR1 Q6W5P4 6/20 0.34
POLB P06746 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ABCB1 P08183 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL805171 0.93 C3AR1 (0.40) C3AR1MAPTSUCNR1TDP1ATM
SCHEMBL10045827 0.91 C3AR1 (0.41) C3AR1MAPTSUCNR1TDP1ATM
SCHEMBL801069 0.88 C3AR1 (0.40) C3AR1MAPTSUCNR1TDP1ATM
SCHEMBL800465 0.85 C3AR1 (0.37) C3AR1
SCHEMBL10045826 0.84 C3AR1 (0.39) C3AR1MAPTSUCNR1TDP1ATM
SCHEMBL805233 0.84 MAOA (0.36) C3AR1MAPTTDP1ATMNPSR1
SCHEMBL800483 0.81 C3AR1 (0.42) C3AR1MAPTATMNPSR1MEN1
SCHEMBL800475 0.81 C3AR1 (0.38) C3AR1MAPTSUCNR1TDP1ATM
SCHEMBL10045819 0.79 MAPT (0.52) C3AR1MAPTTDP1NPSR1POLB
SCHEMBL800524 0.78 C3AR1 (0.34) C3AR1

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 C3AR1 2510/4885MAPT 1974/4885SUCNR1 3565/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 C3AR1 2841/4885MAPT 2056/4885SUCNR1 3619/4885

“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.