SCHEMBL4713200

SCHEMBL4713200

COC(=O)CCCCS(=O)(=O)c1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
KDM1A O60341 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CYP19A1 P11511 1/20 0.42
IDO1 P14902 1/20 0.42
MMP1 P03956 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP11B1 P15538 2/20 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
SCHEMBL8409288 0.96 HDAC1 (0.49) HDAC1HDAC2KDM1AHDAC3HDAC4
SCHEMBL4711012 0.82 KMT2A (0.47) CYP19A1MMP1ALDH1A1NPSR1KMT2A
SCHEMBL17045867 0.81 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8779427 0.81 ALDH1A1 (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL19183052 0.81 KDM1A (0.48) KDM1ACYP19A1IDO1MMP1ALDH1A1
SCHEMBL20545181 0.80 KMT2A (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL20545500 0.80 HDAC1 (0.66) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4712224 0.80 ALDH1A1 (0.60) KDM1ACYP19A1ALDH1A1
SCHEMBL4711119 0.79 PSIP1 (0.50) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7433869 0.78 TSHR (0.53) HDAC1HDAC2HTTCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402595-B2 Enzyme inhibitors with isoquinolinone structures TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-22 US disclosed
US-20050148624-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-07 US disclosed
EP-1484320-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2004-12-08 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-20050148624-A1 Jnk inhibitor MAPK3, MAPKAPK3, MAPK1 HDAC1 213/4885HDAC2 204/4885KDM1A 601/4885

“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.