SCHEMBL5284789

SCHEMBL5284789

Cc1nc(-c2nc(CCCCCNC(=O)COCc3ccc(F)cc3)cs2)cs1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.47
LMNA P02545 3/20 0.46
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5286061 0.85 ALDH1A1 (0.55) TP53LMNAGAASMN1; SMN2MAPT
SCHEMBL5275941 0.85 TP53 (0.55) TP53LMNAGAAMAPTRXFP1
SCHEMBL6037972 0.84 TP53 (0.47) TP53LMNAGAAMAPTPOLB
SCHEMBL5280650 0.84 RAB9A (0.45) TP53LMNAHDAC1HDAC6SMN1; SMN2
SCHEMBL5289055 0.84 TP53 (0.47) TP53LMNAGAAMAPTPOLB
SCHEMBL5281003 0.84 TP53 (0.68) TP53LMNAGAAHTTSMN1; SMN2
SCHEMBL6037970 0.84 TP53 (0.54) TP53LMNAGAAMAPTRXFP1
SCHEMBL5286194 0.81 TP53 (0.53) TP53LMNAGAAMAPTALDH1A1
SCHEMBL6038110 0.81 TP53 (0.45) TP53LMNAHDAC1HDAC6GAA
SCHEMBL5282822 0.81 HDAC1 (0.46) 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 4 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 claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 TP53 2551/4885LMNA 851/4885HDAC3 2/4885

“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.