SCHEMBL5282979

SCHEMBL5282979

O=Cc1nc(CCCCCNC(=O)COCc2ccc(F)cc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.43
LMNA P02545 4/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5280650 0.86 RAB9A (0.45) TP53LMNAHDAC1HDAC6MAPT
SCHEMBL5282822 0.85 HDAC1 (0.46) TP53LMNAHDAC1HDAC6MAPT
SCHEMBL5286061 0.83 ALDH1A1 (0.55) TP53LMNAMAPTPOLBGAA
SCHEMBL5275941 0.83 TP53 (0.55) TP53LMNAMAPTPOLBGAA
SCHEMBL6038003 0.83 TP53 (0.51) TP53LMNAHDAC1HDAC6MAPT
SCHEMBL5282375 0.83 AOC3 (0.47) TP53LMNARAB9A
SCHEMBL5290863 0.83 HDAC1 (0.44) TP53LMNAHDAC1HDAC6MAPT
SCHEMBL6037970 0.82 TP53 (0.54) TP53LMNAMAPTPOLBGAA
SCHEMBL6038066 0.81 TP53 (0.41) TP53LMNAHDAC1HDAC6MAPT
SCHEMBL5290880 0.81 TP53 (0.41) TP53LMNAHDAC1HDAC6MAPT

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
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 TP53 2551/4885LMNA 851/4885HDAC1 1/4885

“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.