SCHEMBL3358736

SCHEMBL3358736

Cc1nc2ccc(C(=O)N3CCN(C)CC3)cn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.43
F2RL1 P55085 1/20 0.40
HDAC3 O15379 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
BRD4 O60885 1/20 0.34
JAK1 P23458 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KLK7 P49862 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
SCHEMBL3356523 0.97 HDAC1 (0.44) HDAC1F2RL1HDAC3HDAC2HDAC8
SCHEMBL196897 0.94 HDAC1 (0.42) HDAC1F2RL1HDAC3HDAC2HDAC8
SCHEMBL3352095 0.91 HDAC1 (0.41) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3353468 0.89 MKNK1 (0.42) HDAC1F2RL1HDAC8HDAC4HDAC7
SCHEMBL3351940 0.88 HDAC1 (0.42) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3355317 0.87 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC8ALDH1A1
SCHEMBL3349151 0.87 HDAC1 (0.57) HDAC1HDAC3HDAC2HDAC8
SCHEMBL3350417 0.86 HDAC1 (0.45) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3355420 0.86 HDAC1 (0.45) HDAC1HDAC3HDAC2HDAC8KDM4E
SCHEMBL197274 0.85 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC8KDM4E

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 1/4885F2RL1 2461/4885HDAC3 4/4885

“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.