SCHEMBL19634461

SCHEMBL19634461

CC(C)(C)CN1CCN(CCNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.55
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
POLB P06746 2/20 0.47
NAMPT P43490 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL21015348 0.91 HDAC6 (0.64) HDAC6HDAC2HDAC8ALDH1A1LMNA
SCHEMBL19634412 0.89 HDAC6 (0.53) HDAC6HDAC2HDAC8ALDH1A1LMNA
SCHEMBL21015946 0.89 NPSR1 (0.62) HDAC6HDAC2HDAC8ALDH1A1LMNA
SCHEMBL21015947 0.88 NPSR1 (0.61) HDAC6HDAC2HDAC8ALDH1A1NPSR1
SCHEMBL19634822 0.87 HSD17B10 (0.47) MAPTDRD2DRD4POLBCYP2C9
SCHEMBL19634442 0.86 HDAC6 (0.55) HDAC6HDAC2HDAC8ALDH1A1LMNA
SCHEMBL21015347 0.86 HDAC6 (0.55) HDAC6HDAC2HDAC8ALDH1A1LMNA
SCHEMBL21015948 0.86 CD274 (0.62) ALDH1A1POLBNAMPT
SCHEMBL19634686 0.84 HDAC2 (0.55) HDAC6HDAC2HDAC8ALDH1A1LMNA
SCHEMBL21015767 0.82 HDAC6 (0.52) HDAC6ALDH1A1LMNAMAPTSMN1; SMN2

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
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 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-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B HDAC6 353/4885HDAC2 483/4885HDAC8 1414/4885

“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.