SCHEMBL3348431

SCHEMBL3348431

O=C(NO)c1ccc(C2(c3nccc(-c4cnc5cc(CN6CCCC6)ccn45)n3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.42
HDAC1 Q13547 9/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC4 P56524 2/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
F10 P00742 2/20 0.35
KCNH2 Q12809 1/20 0.35
DYRK1A Q13627 1/20 0.34

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
SCHEMBL3348703 0.93 HDAC1 (0.43) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL657692 0.87 HDAC1 (0.52) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL656671 0.86 MAP4K1 (0.39) HDAC1
SCHEMBL3353200 0.85 HDAC6 (0.42) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL3357568 0.83 HDAC6 (0.41) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL699938 0.83 JAK2 (0.47) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL3353340 0.81 HDAC1 (0.52) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL658194 0.81 HDAC1 (0.47) HDAC6HDAC1DYRK1A
SCHEMBL198526 0.81 HDAC6 (0.39) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL656876 0.80 HDAC1 (0.39) HDAC6HDAC1HDAC8HDAC3HDAC2

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-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US claimed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US claimed

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-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC6 7/4885HDAC1 1/4885HDAC8 8/4885

“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.