SCHEMBL3352234

SCHEMBL3352234

Cc1nc2cc(OCCN(C)C)ccn2c1-c1csc(C2(c3ccc(C(=O)NO)cc3)CCCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.36
HDAC1 Q13547 4/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
AKT1 P31749 4/20 0.35
AKT2 P31751 4/20 0.35
IGF1R P08069 3/20 0.35
ESR1 P03372 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
ADORA2A P29274 1/20 0.33
SYK P43405 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 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
SCHEMBL3352649 0.97 HDAC6 (0.37) HDAC6HDAC1HDAC3HDAC2AKT1
SCHEMBL198159 0.94 F2RL3 (0.37) HDAC6HDAC1HDAC3HDAC2AKT1
SCHEMBL3356894 0.92 AKT1 (0.37) HDAC6HDAC1HDAC3HDAC2AKT1
SCHEMBL3357575 0.89 HDAC1 (0.44) HDAC1AKT1AKT2IGF1REGFR
SCHEMBL3352248 0.89 AKT1 (0.36) HDAC6HDAC1AKT1AKT2HDAC4
SCHEMBL3350415 0.88 HDAC1 (0.39) HDAC6HDAC1HDAC3HDAC2AKT1
SCHEMBL3357560 0.87 HDAC1 (0.41) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL3352543 0.86 HDAC1 (0.45) HDAC1HDAC3HDAC2AKT1AKT2
SCHEMBL3353302 0.86 HDAC1 (0.34) HDAC6HDAC1HDAC3HDAC2AKT1
SCHEMBL3352696 0.86 HDAC1 (0.36) HDAC6HDAC1AKT1AKT2HDAC4

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 HDAC6 7/4885HDAC1 1/4885HDAC3 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.