SCHEMBL197320

SCHEMBL197320

Cc1nc2cc(C(=O)N3CCN(C)CC3)ccn2c1-c1csc(C2(c3ccc(C(=O)NO)cc3)CCOCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
KCNH2 Q12809 1/20 0.36
HPGD P15428 3/20 0.35
AKT1 P31749 2/20 0.35
AKT2 P31751 2/20 0.35
MAP3K7 O43318 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CSF1R P07333 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
HDAC3 O15379 1/20 0.32

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
SCHEMBL3351854 0.95 HDAC4 (0.41) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL3354030 0.93 HDAC4 (0.40) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL197529 0.90 MKNK1 (0.40) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL197965 0.89 HDAC1 (0.40) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL196935 0.89 KCNH2 (0.40) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL197698 0.87 AKT1 (0.40) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL196470 0.85 POLB (0.43) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL197259 0.84 KCNH2 (0.38) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL198176 0.84 F2RL3 (0.39) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL3352082 0.84 MKNK1 (0.43) HDAC4HDAC1HDAC7HDAC8HDAC6

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-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 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 HDAC4 10/4885HDAC1 1/4885HDAC7 9/4885

“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.