SCHEMBL5130255

SCHEMBL5130255

COC(CCC(C)=O)CC[C@@H](C(=O)Nc1cnc2ccccc2c1)N(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ KDR P35968 1/20 0.44
▸ ACP1 P24666 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ HDAC1 Q13547 7/20 0.43
▸ HDAC4 P56524 6/20 0.43
▸ HDAC3 O15379 5/20 0.43
▸ HDAC7 Q8WUI4 5/20 0.43
▸ HDAC2 Q92769 5/20 0.43
▸ HDAC10 Q969S8 5/20 0.43
▸ HDAC11 Q96DB2 5/20 0.43
▸ HDAC8 Q9BY41 5/20 0.43
▸ HDAC6 Q9UBN7 5/20 0.43

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
SCHEMBL5127694 0.85 HDAC1 (0.56) RAB9AKDM4ENPC1SMN1; SMN2KDR
SCHEMBL5130249 0.82 HDAC1 (0.51) RAB9AKDM4ENPC1SMN1; SMN2KDR
SCHEMBL12488246 0.73 HDAC1 (0.53) RAB9AKDM4ENPC1SMN1; SMN2KDR
SCHEMBL5126674 0.71 HDAC1 (0.53) RAB9AKDM4ENPC1SMN1; SMN2ACP1
SCHEMBL5123925 0.69 HDAC1 (0.70) ACP1HDAC1HDAC4HDAC3HDAC7
Hydrochloric Acid SCHEMBL5131534 0.68 HDAC1 (0.62) RAB9AKDM4ENPC1SMN1; SMN2KDR
SCHEMBL5121971 0.67 HDAC1 (0.69) RAB9AKDM4ENPC1SMN1; SMN2ACP1
SCHEMBL5131328 0.67 HDAC1 (0.69) RAB9AKDM4ENPC1SMN1; SMN2ACP1
SCHEMBL29221826 0.67 ACP1 (0.57) RAB9AKDM4ENPC1SMN1; SMN2KDR
SCHEMBL30858813 0.67 ACP1 (0.57) RAB9AKDM4ENPC1SMN1; SMN2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 — — US claimed

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-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 RAB9A 2246/4885KDM4E 131/4885NPC1 881/4885

“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.

Send feedback