SCHEMBL6038332

SCHEMBL6038332

O=C(COCc1ccc(F)cc1)NCCCc1ccc(CN(CCO)CCc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
CTSS P25774 3/20 0.48
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.42
SLC40A1 Q9NP59 1/20 0.42

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
SCHEMBL6038326 0.83 POLB (0.55) POLBHTTCTSSLMNAHSD17B10
SCHEMBL6038072 0.83 POLB (0.60) POLBHTTCTSSLMNAHSD17B10
SCHEMBL6037892 0.82 NAMPT (0.57) POLB
SCHEMBL6038203 0.81 GAA (0.48) POLBHTTLMNAGAASMN1; SMN2
SCHEMBL6038235 0.80 POLB (0.49) POLBHTTCTSSLMNAHSD17B10
SCHEMBL6037966 0.79 NAMPT (0.52) POLB
SCHEMBL6038096 0.78 NAMPT (0.52) POLB
SCHEMBL6038000 0.77 NAMPT (0.41) POLBHTTLMNAGAASMN1; SMN2
SCHEMBL6038340 0.77 SPR (0.51)
SCHEMBL6038087 0.76 HDAC1 (0.54) POLBGAAALDH1A1

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 claimed

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 POLB 820/4885HTT 846/4885CTSS 2338/4885

“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.