SCHEMBL3348244

SCHEMBL3348244

CN(C)Cc1ccn2c(-c3ccnc(C4(c5ccc(C(=O)Nc6ccccc6N)cc5)CC4)n3)cnc2c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.53
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL657217 0.89 HDAC1 (0.48) HDAC1HDAC3HDAC2NCOR2
SCHEMBL658091 0.88 HDAC1 (0.55) HDAC1
SCHEMBL657692 0.88 HDAC1 (0.52) HDAC1HDAC3HDAC2
SCHEMBL656671 0.87 MAP4K1 (0.39) HDAC1
SCHEMBL3357111 0.86 HDAC1 (0.46) HDAC1HDAC3HDAC2NCOR2
SCHEMBL3353340 0.86 HDAC1 (0.52) HDAC1HDAC3HDAC2
SCHEMBL3356670 0.86 HDAC1 (0.66) HDAC1HDAC3HDAC2NCOR2
SCHEMBL3356499 0.84 HDAC1 (0.44) HDAC1HDAC3HDAC2NCOR2
SCHEMBL701663 0.84 HDAC1 (0.63) HDAC1HDAC3HDAC2NCOR2
SCHEMBL197769 0.82 HDAC1 (0.43) HDAC1HDAC3HDAC2NCOR2

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 HDAC1 1/4885HDAC3 4/4885HDAC2 3/4885

“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.