SCHEMBL196622

SCHEMBL196622

COCCOc1ccc2nc(C)c(-c3csc(C4(c5ccc(C(=O)Nc6ccccc6N)cc5)CCOCC4)n3)n2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
PIK3CA P42336 2/20 0.36
BRD4 O60885 1/20 0.36
JAK1 P23458 1/20 0.36
KCNH2 Q12809 1/20 0.36
ADORA2A P29274 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
SCHEMBL3356970 0.95 HDAC1 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3355850 0.94 HDAC1 (0.46) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL199125 0.93 HDAC1 (0.44) HDAC1MEN1KMT2AHDAC3HDAC4
SCHEMBL197347 0.90 HDAC1 (0.43) HDAC1MEN1KMT2AHDAC3HDAC4
SCHEMBL198167 0.90 AKT1 (0.45) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL198898 0.89 F2RL3 (0.37) HDAC1HDAC4HDAC7HDAC8HDAC6
SCHEMBL3348469 0.88 HDAC1 (0.46) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL196851 0.87 HDAC1 (0.45) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL197654 0.87 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3350417 0.86 HDAC1 (0.45) HDAC1KMT2AHDAC3HDAC4HDAC7

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 HDAC1 1/4885MEN1 4082/4885KMT2A 121/4885

“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.