SCHEMBL1368166

SCHEMBL1368166

COC(=O)c1ccc(CN(Cc2ccc(Cl)cc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC2 Q92769 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 3/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP4A11 Q02928 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
CYP4F2 P78329 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GAA P10253 3/20 0.42
HPGD P15428 1/20 0.42
CA1 P00915 1/20 0.41

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
SCHEMBL2655936 0.89 HDAC1 (0.54) HDAC1HDAC3HDAC2NCOR2MAPT
SCHEMBL380610 0.88 HDAC1 (0.56) HDAC1HDAC3HDAC2NCOR2SMN1; SMN2
SCHEMBL3748913 0.88 HDAC1 (0.65) HDAC1HDAC3HDAC2NCOR2MAPT
SCHEMBL8093055 0.84 HDAC1 (0.49) HDAC1HDAC3HDAC2NCOR2MAPT
SCHEMBL1369160 0.83 HDAC3 (0.47) HDAC1HDAC3HDAC2NCOR2POLB
SCHEMBL2056117 0.83 HDAC3 (0.49) HDAC1HDAC3HDAC2NCOR2RAB9A
SCHEMBL12393322 0.83 HDAC1 (0.48) HDAC1HDAC3HDAC2NCOR2SMN1; SMN2
SCHEMBL7299608 0.83 HDAC3 (0.45) HDAC1HDAC3HDAC2NCOR2MAPT
SCHEMBL3149329 0.82 HDAC3 (0.46) HDAC1HDAC3HDAC2NCOR2POLB
SCHEMBL20236074 0.82 LPAR1 (0.55) HDAC1HDAC3HDAC2NCOR2CYP4A11

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-8461329-B2 Isoquinoline derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-11 US disclosed
US-20110288293-A1 ISOQUINOLINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-24 US 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-20110288293-A1 ISOQUINOLINE DERIVATIVE HRH1, HRH2, HRH4 HDAC1 415/4885HDAC3 615/4885HDAC2 62/4885

“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.