SCHEMBL4257526

SCHEMBL4257526

CCOC(=O)c1ccc(OCCNC(=O)c2oc3ccccc3c2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
NCOR2 Q9Y618 1/20 0.57
NPC1 O15118 4/20 0.55
RAB9A P51151 3/20 0.55
KDM4E B2RXH2 2/20 0.50
AHR P35869 1/20 0.50
RXFP1 Q9HBX9 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 2/20 0.48

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
SCHEMBL443572 0.92 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL444587 0.87 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL4252413 0.86 HDAC3 (0.78) HDAC1HDAC2HDAC3HDAC10HDAC8
Dimethylamine SCHEMBL447538 0.85 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC10HDAC8
Diethylamine SCHEMBL445593 0.85 HDAC1 (0.67) HDAC1HDAC2HDAC3HDAC10HDAC8
Dimethylamine SCHEMBL14762288 0.84 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL4247836 0.84 HDAC1 (0.61) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL3664386 0.81 HDAC2 (0.58) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL4254289 0.79 SMN1; SMN2 (0.72) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL3658010 0.79 HDAC2 (0.58) HDAC1HDAC2HDAC3HDAC10HDAC8

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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 US disclosed
US-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 HDAC1 1/4885HDAC2 4/4885HDAC3 3/4885

“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.