SCHEMBL21015205

SCHEMBL21015205

CCN(CC)CCN(CCN(CC)CC)C(=O)c1ccc(CNC(=O)C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.55
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ EPHX2 P34913 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44
▸ RIPK1 Q13546 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ MLYCD O95822 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL19634696 0.85 KMT2A (0.54) HDAC6ALDH1A1SMN1; SMN2HDAC1MAPT
SCHEMBL19634808 0.83 HDAC6 (0.56) HDAC6CA1CA2CA7CA14
SCHEMBL23471127 0.82 ERCC1 (0.46) HDAC6EPHX2NR1H4ALDH1A1SMN1; SMN2
SCHEMBL21015209 0.82 HDAC6 (0.62) HDAC6ALDH1A1SMN1; SMN2HDAC1LMNA
SCHEMBL21015486 0.81 NR1H4 (0.38) HDAC6CA1CA2CA7CA14
SCHEMBL21015785 0.80 HDAC6 (0.58) HDAC6CA1CA2CA7CA14
SCHEMBL21015839 0.80 HDAC6 (0.52) HDAC6CA1CA2CA7CA14
SCHEMBL21015204 0.80 HDAC6 (0.52) HDAC6CA1CA2CA7CA14
SCHEMBL21015472 0.79 EPHX2 (0.67) HDAC6CA1CA2CA7CA14
SCHEMBL21015207 0.78 HDAC6 (0.50) HDAC6CA1CA2CA7CA14

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-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 — — 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-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B HDAC6 353/4885CA1 4153/4885CA2 1322/4885

“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.

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