SCHEMBL801034

SCHEMBL801034

CC(N)c1nc(C(=O)NC(C)c2nc(C(=O)NC(C)c3nc(C(=O)NC(C)c4nc(C(=O)O)co4)co3)co2)co1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
C3AR1 Q16581 13/20 0.37
SMYD3 Q9H7B4 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL25387512 0.88 HDAC1 (0.40) HDAC1HDAC8HDAC6C3AR1TDP1
SCHEMBL801030 0.86 HDAC1 (0.37) HDAC1HDAC8HDAC6C3AR1
SCHEMBL801031 0.80 C3AR1 (0.49) HDAC1HDAC8HDAC6C3AR1
SCHEMBL5065373 0.79 C3AR1 (0.40) HDAC1HDAC8HDAC6C3AR1
SCHEMBL800492 0.75 KMT2A (0.49) C3AR1
SCHEMBL5512580 0.74 HDAC1 (0.41) HDAC1HDAC8HDAC6TDP1
SCHEMBL800880 0.74 DAGLA (0.39) HDAC1HDAC8HDAC6
SCHEMBL13175023 0.74 DAGLA (0.39) HDAC1HDAC8HDAC6
SCHEMBL27314649 0.73 HDAC1 (0.57) HDAC1HDAC8HDAC6TDP1
SCHEMBL23193214 0.72 HDAC1 (0.44) HDAC1HDAC8HDAC6C3AR1

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-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

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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 HDAC1 474/4885HDAC8 812/4885HDAC6 337/4885

“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.