SCHEMBL3352248

SCHEMBL3352248

COCCOc1ccn2c(-c3csc(C4(c5ccc(C(=O)NO)cc5)CC4)n3)c(C)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.36
AKT2 P31751 4/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
RIPK2 O43353 1/20 0.35
SYK P43405 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 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
SCHEMBL3356894 0.97 AKT1 (0.37) AKT1AKT2HDAC4HDAC1HDAC7
SCHEMBL197595 0.95 KCNH2 (0.38) AKT1AKT2HDAC4HDAC1HDAC7
SCHEMBL3352649 0.92 HDAC6 (0.37) AKT1AKT2HDAC4HDAC1HDAC7
SCHEMBL3351660 0.91 HDAC1 (0.39) AKT1AKT2HDAC4HDAC1HDAC7
SCHEMBL3352234 0.89 HDAC6 (0.36) AKT1AKT2HDAC4HDAC1HDAC7
SCHEMBL3353147 0.89 HDAC1 (0.45) AKT1AKT2HDAC4HDAC1HDAC7
SCHEMBL3350389 0.88 HDAC1 (0.42) HDAC1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL3351646 0.88 AKT1 (0.35) AKT1AKT2HDAC4HDAC1HDAC7
SCHEMBL3350415 0.88 HDAC1 (0.39) AKT1AKT2HDAC4HDAC1HDAC7
SCHEMBL198159 0.87 F2RL3 (0.37) AKT1AKT2HDAC4HDAC1HDAC7

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 AKT1 1338/4885AKT2 981/4885HDAC4 10/4885

“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.