SCHEMBL6038370

SCHEMBL6038370

CCC(C)(C)C(=O)Oc1nc(CCCCCNC(=O)COCc2ccc(F)cc2)cs1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.39
LMNA P02545 4/20 0.39
RAB9A P51151 1/20 0.36
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
DDR2 Q16832 2/20 0.35
MAPK14 Q16539 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6038066 0.86 TP53 (0.41) TP53LMNARAB9APOLBGAA
SCHEMBL6038367 0.82 TP53 (0.41) TP53LMNARAB9APOLBGAA
SCHEMBL5277732 0.81 RAB9A (0.50) TP53LMNARAB9APOLBGAA
SCHEMBL5280650 0.80 RAB9A (0.45) TP53LMNARAB9AHDAC1HDAC6
SCHEMBL5282822 0.79 HDAC1 (0.46) TP53LMNARAB9AHDAC1HDAC6
SCHEMBL5290880 0.79 TP53 (0.41) TP53LMNARAB9APOLBGAA
SCHEMBL5282375 0.79 AOC3 (0.47) TP53LMNARAB9ADDR2MAPK14
SCHEMBL5282979 0.78 TP53 (0.43) TP53LMNARAB9APOLBGAA
SCHEMBL5275941 0.78 TP53 (0.55) TP53LMNAPOLBGAAMAPT
SCHEMBL5286061 0.78 ALDH1A1 (0.55) TP53LMNAPOLBGAAMAPT

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-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 851/4885RAB9A 2884/4885

“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.