SCHEMBL3491607

SCHEMBL3491607

CC(=O)c1ccc2c(c1)OC1(CCN(C(=O)c3c(N)sc4ccccc34)CC1)CC2=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.45
HDAC3 O15379 4/20 0.45
HDAC4 P56524 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC10 Q969S8 4/20 0.45
HDAC11 Q96DB2 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
HDAC9 Q9UKV0 4/20 0.45
HDAC5 Q9UQL6 4/20 0.45
CYP19A1 P11511 1/20 0.38
ACACA Q13085 1/20 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
SCHEMBL13636848 0.89 ACACB (0.46) ACACBHDAC3HDAC4HDAC1HDAC7
SCHEMBL3492059 0.87 EPHX2 (0.48) ACACBHDAC3HDAC4HDAC1HDAC7
SCHEMBL3492960 0.86 ACACB (0.45) ACACBHDAC3HDAC4HDAC1HDAC7
SCHEMBL3493462 0.85 ACACB (0.43) ACACBHDAC3HDAC4HDAC1HDAC7
SCHEMBL3492494 0.84 ACACB (0.49) ACACBHDAC3HDAC4HDAC1HDAC7
SCHEMBL3492381 0.83 ACACB (0.52) ACACBACACA
SCHEMBL3492377 0.83 ACACB (0.52) ACACBACACA
SCHEMBL3494841 0.82 HDAC3 (0.50) ACACBHDAC3HDAC4HDAC1HDAC7
SCHEMBL3493654 0.82 MAOB (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3493120 0.82 ACACB (0.47) ACACBHDAC3HDAC4HDAC1HDAC7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B ACACB 5/4885HDAC3 386/4885HDAC4 858/4885

“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.