SCHEMBL5280650

SCHEMBL5280650

Nc1nc(CCCCCNC(=O)COCc2ccc(F)cc2)cs1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
TP53 P04637 5/20 0.44
LMNA P02545 4/20 0.44
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL5282822 0.87 HDAC1 (0.46) RAB9ATP53LMNAHDAC1HDAC6
SCHEMBL5282979 0.86 TP53 (0.43) RAB9ATP53LMNAHDAC1HDAC6
SCHEMBL5289055 0.86 TP53 (0.47) TP53LMNAMAPT
SCHEMBL5286061 0.85 ALDH1A1 (0.55) TP53LMNASMN1; SMN2MAPT
SCHEMBL5275941 0.85 TP53 (0.55) TP53LMNAMAPT
SCHEMBL5282375 0.84 AOC3 (0.47) RAB9ATP53LMNASMN1; SMN2
SCHEMBL5290863 0.84 HDAC1 (0.44) TP53LMNAHDAC1HDAC6MAPT
SCHEMBL5284789 0.84 TP53 (0.47) TP53LMNAHDAC1HDAC6SMN1; SMN2
SCHEMBL6037970 0.84 TP53 (0.54) TP53LMNAMAPT
SCHEMBL6038138 0.83 MAPT (0.50) RAB9ATP53LMNAMAPT

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 6 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
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 RAB9A 2884/4885TP53 2551/4885LMNA 851/4885

“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.