SCHEMBL3589220

SCHEMBL3589220

CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc(C(F)(F)F)cc3O2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.41
HDAC4 P56524 4/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC7 Q8WUI4 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC10 Q969S8 4/20 0.41
HDAC11 Q96DB2 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC9 Q9UKV0 4/20 0.41
HDAC5 Q9UQL6 4/20 0.41
MAPT P10636 1/20 0.40
CHRNA7 P36544 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RORC P51449 2/20 0.40
TACR1 P25103 1/20 0.39
GPR183 P32249 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 1/20 0.38
EIF2AK4 Q9P2K8 2/20 0.38

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
SCHEMBL23928845 0.88 CHRNA7 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3594559 0.86 MAPT (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3599981 0.86 MAPT (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3594556 0.86 MAPT (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3599987 0.86 MAPT (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30016576 0.86 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30953804 0.84 ALDH1A1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23928877 0.83 ATM (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3494359 0.82 KMT2A (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3494363 0.82 KMT2A (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP disclosed

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 HDAC3 29/4885HDAC4 581/4885HDAC1 81/4885

“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.