SCHEMBL6234622

SCHEMBL6234622

COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(N3CCN(CC4CCCC4)CC3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.57
HDAC8 Q9BY41 6/20 0.57
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.47
POLB P06746 2/20 0.45
CHRM4 P08173 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL6132264 0.99 HDAC3 (0.56) HDAC3HDAC8ALDH1A1TSHRMAPT
SCHEMBL6241221 0.83 USP2 (0.46) HDAC3HDAC8ALDH1A1TSHRMAPT
SCHEMBL6235992 0.83 HDAC3 (0.54) HDAC3HDAC8CHRM4
SCHEMBL6134989 0.82 ALDH1A1 (0.51) HDAC3HDAC8ALDH1A1POLBKMT2A
SCHEMBL6369562 0.82 ALDH1A1 (0.53) HDAC3HDAC8ALDH1A1TSHRMAPT
SCHEMBL6132282 0.82 PDE4D (0.46) HDAC3HDAC8ALDH1A1TSHRMAPT
SCHEMBL6132372 0.82 HDAC3 (0.53) HDAC3HDAC8ALDH1A1CHRM4KMT2A
SCHEMBL6132688 0.81 ALDH1A1 (0.52) ALDH1A1TSHRMAPTSMN1; SMN2HTT
SCHEMBL6134631 0.81 HDAC3 (0.50) HDAC3HDAC8ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6134644 0.81 HDAC3 (0.51) HDAC3HDAC8ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005005463-A1 ANTIFUNGAL CYCLIC LIPOPEPTIDES ASTELLAS PHARMA INC. (JP) 2005-01-20 WO disclosed
US-20050014685-A1 New compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 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-20050014685-A1 New compound MAN2B1, MAN2A1, MANBA HDAC3 1497/4885HDAC8 1977/4885ALDH1A1 4110/4885

“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.