SCHEMBL6038357

SCHEMBL6038357

COc1ccc(N2CCN(C(=O)CCCCCNC(=O)COCc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
GRM5 P41594 1/20 0.53
MAPT P10636 3/20 0.53
CETP P11597 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 3/20 0.47
GFER P55789 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL6038021 0.83 MAPT (0.57) L3MBTL1MAPTMEN1KMT2APOLB
SCHEMBL6037916 0.81 GFER (0.55) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5282924 0.80 GFER (0.59) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6038084 0.75 GFER (0.58) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1378043 0.75 HDAC1 (0.72) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5281181 0.74 DPP4 (0.49) ALDH1A1
SCHEMBL6037984 0.74 MAPT (0.57) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5281177 0.74 DPP4 (0.49) ALDH1A1
SCHEMBL5282279 0.74 ITGB3 (0.47) KMT2ALMNAHTT
SCHEMBL1907462 0.73 GRM5 (0.79) L3MBTL1GRM5MAPTMEN1KMT2A

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 L3MBTL1 153/4885GRM5 2981/4885MAPT 3848/4885

“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.