SCHEMBL3357396

SCHEMBL3357396

Cc1nc2ccc(C(=O)NCCN3CCOCC3)cn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
BCL3 P20749 1/20 0.41
MAPK14 Q16539 1/20 0.40
HPGDS O60760 2/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC3 O15379 2/20 0.39
CD274 Q9NZQ7 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL197903 0.98 HDAC1 (0.42) HDAC1ALDH1A1GAABCL3MAPK14
SCHEMBL3355078 0.97 HDAC1 (0.42) HDAC1ALDH1A1GAABCL3MAPK14
SCHEMBL3356510 0.91 MAPK14 (0.42) HDAC1ALDH1A1GAABCL3MAPK14
SCHEMBL196678 0.89 MAPK14 (0.42) HDAC1ALDH1A1GAABCL3MAPK14
SCHEMBL3351468 0.89 HPGDS (0.42) HDAC1ALDH1A1HPGDSHPGDKDM4E
SCHEMBL198167 0.89 AKT1 (0.45) HDAC1ALDH1A1GAAHPGDKDM4E
SCHEMBL3356058 0.89 MAPK14 (0.42) HDAC1ALDH1A1GAABCL3MAPK14
SCHEMBL3351914 0.88 AKT1 (0.47) HDAC1ALDH1A1GAAHPGDKDM4E
SCHEMBL197432 0.87 HPGDS (0.41) ALDH1A1HPGDSHPGDKDM4ECD274
SCHEMBL658165 0.87 HDAC1 (0.50) HDAC1ALDH1A1GAABCL3MAPK14

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 1/4885ALDH1A1 957/4885GAA 79/4885

“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.