SCHEMBL3351435

SCHEMBL3351435

COCCNC(=O)c1ccn2c(-c3csc(C4(c5ccc(C(=O)Nc6ccccc6N)cc5)CCCC4)n3)c(C)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.42
HTT P42858 1/20 0.38
AKT1 P31749 3/20 0.38
AKT2 P31751 3/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 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
SCHEMBL3351130 0.97 HDAC1 (0.43) HDAC1HTTAKT1AKT2NPC1
SCHEMBL198502 0.94 HDAC1 (0.41) HDAC1AKT1AKT2NPC1RAB9A
SCHEMBL3357501 0.91 AKT1 (0.48) HDAC1HTTAKT1AKT2NPC1
SCHEMBL3353637 0.91 HDAC1 (0.43) HDAC1AKT1AKT2HDAC3HDAC2
SCHEMBL3356972 0.89 HDAC1 (0.44) HDAC1AKT1AKT2HDAC3HDAC2
SCHEMBL3356593 0.89 NPC1 (0.42) HDAC1HTTAKT1AKT2NPC1
SCHEMBL3351761 0.89 HDAC1 (0.44) HDAC1AKT1AKT2HDAC3HDAC2
SCHEMBL3356058 0.89 MAPK14 (0.42) HDAC1SMN1; SMN2
SCHEMBL3351914 0.88 AKT1 (0.47) HDAC1HTTAKT1AKT2NPC1
SCHEMBL3354346 0.88 HDAC1 (0.43) HDAC1AKT1AKT2HDAC3HDAC2

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 1/4885HTT 478/4885AKT1 1338/4885

“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.