SCHEMBL15768686

SCHEMBL15768686

CN1CCN(c2ccc(C3C(c4ccccc4)C3(C)C(=O)O)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 3/20 0.57
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ GAA P10253 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MMP14 P50281 1/20 0.46
▸ ADAMTS5 Q9UNA0 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KDM1A O60341 2/20 0.42
▸ MAOA P21397 2/20 0.42

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
SCHEMBL12499493 1.00 HDAC4 (0.57) HDAC4NPC1RAB9AGAANPSR1
SCHEMBL12498931 0.85 HDAC4 (0.60) HDAC4MMP14ADAMTS5ESR1ESR2
SCHEMBL15769142 0.85 HDAC4 (0.60) HDAC4MMP14ADAMTS5ESR1ESR2
SCHEMBL15768615 0.83 HDAC4 (0.60) HDAC4MMP14ADAMTS5SMN1; SMN2ALDH1A1
SCHEMBL12499403 0.83 HDAC4 (0.60) HDAC4MMP14ADAMTS5SMN1; SMN2ALDH1A1
SCHEMBL15769047 0.79 HDAC4 (0.61) HDAC4MMP14ADAMTS5MEN1KMT2A
SCHEMBL12499048 0.79 HDAC4 (0.61) HDAC4MMP14ADAMTS5MEN1KMT2A
SCHEMBL15768585 0.78 HDAC4 (0.61) HDAC4MMP14ADAMTS5MEN1KMT2A
SCHEMBL12498351 0.78 HDAC4 (0.61) HDAC4MMP14ADAMTS5MEN1KMT2A
SCHEMBL12498406 0.74 HDAC4 (0.49) HDAC4NPC1RAB9AMEN1KMT2A

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-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 — — US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 — — 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885NPC1 1393/4885RAB9A 4026/4885

“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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