SCHEMBL800524

SCHEMBL800524

CC(C)C(N)c1nc(-c2nc(-c3nc(C(=O)NC(c4nc(-c5nc(-c6nc(C(=O)O)co6)co5)co4)C(C)C)co3)co2)co1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 11/20 0.34
HDAC1 Q13547 7/20 0.33
HDAC8 Q9BY41 7/20 0.33
HDAC6 Q9UBN7 7/20 0.33
ELANE P08246 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
SCHEMBL805184 0.91 HDAC1 (0.33) C3AR1HDAC1HDAC8HDAC6ELANE
SCHEMBL800942 0.90 HDAC1 (0.33) C3AR1HDAC1HDAC8HDAC6
SCHEMBL5065373 0.89 C3AR1 (0.40) C3AR1HDAC1HDAC8HDAC6
SCHEMBL805242 0.88 C3AR1 (0.31) C3AR1
SCHEMBL800483 0.79 C3AR1 (0.42) C3AR1
SCHEMBL800522 0.79 HDAC1 (0.37) C3AR1HDAC1HDAC8HDAC6
SCHEMBL800486 0.78 HDAC1 (0.34) HDAC1HDAC8HDAC6
SCHEMBL805225 0.78 C3AR1 (0.42) C3AR1
SCHEMBL14391889 0.76 HDAC1 (0.35) HDAC1HDAC8HDAC6
SCHEMBL805240 0.75 C3AR1 (0.43) C3AR1HDAC1HDAC8HDAC6

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-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

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 2510/4885HDAC1 505/4885HDAC8 880/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 C3AR1 2841/4885HDAC1 474/4885HDAC8 812/4885

“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.