SCHEMBL15768592

SCHEMBL15768592

Cn1ccnc1-c1ccc(C2C(c3ccccc3)C2(C)C(N)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 6/20 0.58
▸ PDK1 Q15118 3/20 0.41
▸ ESR1 P03372 1/20 0.39
▸ NTRK1 P04629 1/20 0.37
▸ RIPK2 O43353 1/20 0.36
▸ PDK2 Q15119 2/20 0.36
▸ PDK3 Q15120 2/20 0.36
▸ PDK4 Q16654 2/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ SLC9A1 P19634 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ MYC P01106 1/20 0.35
▸ EDNRA P25101 1/20 0.35
▸ ACLY P53396 1/20 0.34

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
SCHEMBL15768593 1.00 HDAC4 (0.58) HDAC4PDK1ESR1NTRK1RIPK2
SCHEMBL30788829 0.77 SLC9A1 (0.53) HDAC4SLC9A1
SCHEMBL12499694 0.74 HDAC4 (0.55) HDAC4BRD4SLC9A1
SCHEMBL15768815 0.74 HDAC4 (0.55) HDAC4BRD4SLC9A1
SCHEMBL15768718 0.73 HDAC4 (0.53) HDAC4SLC9A1
SCHEMBL12498720 0.73 HDAC4 (0.53) HDAC4SLC9A1
SCHEMBL19366238 0.73 HDAC4 (0.64) HDAC4PDK1ESR1RIPK2BRD4
SCHEMBL12498354 0.73 HDAC4 (1.00) HDAC4
SCHEMBL15783740 0.73 HDAC4 (0.74) HDAC4
SCHEMBL12498360 0.73 HDAC4 (1.00) HDAC4

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 10/4885PDK1 500/4885ESR1 4754/4885

“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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