SCHEMBL3351646

SCHEMBL3351646

COCCOc1ccc2nc(C)c(-c3csc(C4(c5ccc(C(=O)NO)cc5)CC4)n3)n2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.35
AKT2 P31751 3/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC6 Q9UBN7 5/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADAM17 P78536 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
JAK2 O60674 1/20 0.32
BRD4 O60885 1/20 0.32
RET P07949 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
SCHEMBL3352993 0.97 AKT1 (0.36) AKT1AKT2HDAC1HDAC6HDAC8
SCHEMBL198898 0.95 F2RL3 (0.37) AKT1AKT2HDAC1HDAC6HDAC8
SCHEMBL3352693 0.91 CA1 (0.38) AKT1AKT2HDAC1HDAC6HDAC8
SCHEMBL3356970 0.88 HDAC1 (0.47) HDAC1HDAC6HDAC8HDAC4HDAC7
SCHEMBL3352248 0.88 AKT1 (0.36) AKT1AKT2HDAC1HDAC6HDAC8
SCHEMBL3353149 0.88 HDAC1 (0.38) AKT1AKT2HDAC1HDAC6HDAC8
SCHEMBL3352140 0.87 AKT1 (0.48) AKT1AKT2HDAC1HDAC6HDAC8
SCHEMBL3355850 0.86 HDAC1 (0.46) AKT1AKT2HDAC1HDAC6HDAC8
SCHEMBL655707 0.85 HDAC1 (0.39) AKT1AKT2HDAC1ADAM17PIM1
SCHEMBL197185 0.85 F2RL3 (0.39) AKT1AKT2NPC1RAB9ASMN1; SMN2

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 981/4885HDAC1 1/4885

“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.