SCHEMBL4525955

SCHEMBL4525955

CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 9/20 0.60
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
PTPN1 P18031 4/20 0.49
PTPN2 P17706 1/20 0.48
PTPN6 P29350 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
PABPC1 P11940 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.46
CFTR P13569 2/20 0.45

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
SCHEMBL4527081 1.00 HDAC8 (0.60) HDAC8LMNAPKMPTPN1PTPN2
SCHEMBL3691162 0.85 HDAC8 (0.58) HDAC8LMNAPKMPTPN1MAPT
SCHEMBL3691160 0.85 HDAC8 (0.58) HDAC8LMNAPKMPTPN1MAPT
SCHEMBL4516247 0.84 LMNA (0.49) HDAC8LMNAPTPN1PTPN2PTPN6
SCHEMBL23099679 0.81 HDAC8 (0.54) HDAC8LMNAPKMPTPN1MEN1
SCHEMBL29715442 0.80 HDAC8 (0.55) HDAC8LMNAPKMPTPN1MEN1
SCHEMBL23092579 0.80 HDAC8 (0.55) HDAC8LMNAPKMPTPN1MEN1
SCHEMBL17474771 0.79 PTPN1 (0.57) HDAC8LMNAPTPN1PTPN2PTPN6
SCHEMBL22962110 0.79 HDAC8 (0.57) HDAC8PTPN1
SCHEMBL14183936 0.78 HDAC8 (0.62) HDAC8PTPN1

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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA HDAC8 31/4885LMNA 3083/4885PKM 1937/4885

“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.