SCHEMBL6135350

SCHEMBL6135350

COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(N3CCC(OCCCC(C)C)CC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.47
HDAC8 Q9BY41 10/20 0.47
ALDH1A1 P00352 3/20 0.44
PDE6D O43924 1/20 0.41
ACACB O00763 2/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
GRM2 Q14416 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL6132706 0.88 ALDH1A1 (0.46) HDAC3HDAC8ALDH1A1PDE6DACACB
SCHEMBL6133632 0.88 HDAC3 (0.48) HDAC3HDAC8ALDH1A1MAPTSMN1; SMN2
SCHEMBL6132700 0.88 ALDH1A1 (0.46) HDAC3HDAC8ALDH1A1PDE6DACACB
SCHEMBL6134832 0.87 HDAC3 (0.49) HDAC3HDAC8ALDH1A1PDE6DMAPT
SCHEMBL6133982 0.87 HDAC3 (0.46) HDAC3HDAC8ALDH1A1ACACBMAPT
SCHEMBL6135070 0.84 ALDH1A1 (0.39) HDAC3HDAC8ALDH1A1PDE6DACACB
SCHEMBL6135042 0.84 FDFT1 (0.44) ALDH1A1MAPTSMN1; SMN2TSHRBCHE
SCHEMBL6134902 0.83 ALDH1A1 (0.50) ALDH1A1PDE6DACACBMAPTSMN1; SMN2
SCHEMBL6132214 0.79 MEN1 (0.43) HDAC3HDAC8ALDH1A1MAPTSMN1; SMN2
SCHEMBL6134644 0.79 HDAC3 (0.51) HDAC3HDAC8ALDH1A1PDE6DMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 HDAC3 1145/4885HDAC8 2744/4885ALDH1A1 3841/4885

“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.