SCHEMBL15768815

SCHEMBL15768815

CC1(C(N)=O)C(c2ccccc2)C1c1ccc(-c2ncco2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 7/20 0.55
▸ LTA4H P09960 3/20 0.45
▸ HPGDS O60760 1/20 0.40
▸ TNKS O95271 1/20 0.39
▸ SLC9A1 P19634 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ FAAH O00519 3/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ CES1 P23141 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ TRPM4 Q8TD43 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
SCHEMBL12499694 1.00 HDAC4 (0.55) HDAC4LTA4HHPGDSTNKSSLC9A1
SCHEMBL30788829 0.78 SLC9A1 (0.53) HDAC4SLC9A1
SCHEMBL15768718 0.74 HDAC4 (0.53) HDAC4SLC9A1
SCHEMBL12498720 0.74 HDAC4 (0.53) HDAC4SLC9A1
SCHEMBL15768592 0.74 HDAC4 (0.58) HDAC4SLC9A1BRD4
SCHEMBL15768593 0.74 HDAC4 (0.58) HDAC4SLC9A1BRD4
SCHEMBL12497988 0.73 HDAC4 (0.55) HDAC4TNKSSLC9A1
SCHEMBL15768691 0.73 HDAC4 (0.55) HDAC4TNKSSLC9A1
Acetic Acid SCHEMBL27259016 0.73 HPGDS (0.59) HDAC4LTA4HHPGDSFAAHCES1
SCHEMBL19366378 0.73 HDAC4 (0.61) HDAC4LTA4HHPGDSTNKSFAAH

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 10/4885LTA4H 1736/4885HPGDS 558/4885

“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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