SCHEMBL3353756

SCHEMBL3353756

COc1ccn2c(-c3csc(C4(c5ccc(C(=O)Nc6ccccc6N)cc5)CCCC4)n3)c(C(F)(F)F)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.40
HDAC3 O15379 5/20 0.40
HDAC8 Q9BY41 5/20 0.40
HDAC7 Q8WUI4 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC4 P56524 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
AKT1 P31749 2/20 0.38
AKT2 P31751 2/20 0.38
PTGS1 P23219 1/20 0.37
EPHA2 P29317 1/20 0.35

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
SCHEMBL3355323 0.97 HDAC1 (0.41) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL196982 0.94 HDAC1 (0.39) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL3354346 0.91 HDAC1 (0.43) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL3357009 0.89 HDAC1 (0.38) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL3353643 0.88 HDAC1 (0.44) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL3354974 0.85 HDAC1 (0.37) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL196936 0.85 HDAC1 (0.42) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL3354590 0.85 HDAC1 (0.43) HDAC1HDAC2PTGS1
SCHEMBL3352924 0.84 HDAC1 (0.42) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL3351761 0.84 HDAC1 (0.44) HDAC1HDAC3HDAC8HDAC7HDAC6

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 4/4885HDAC8 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.