SCHEMBL16330628

SCHEMBL16330628

CCc1cnc(CC(=O)N(C)OC)nc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ GPR119 Q8TDV5 3/20 0.35
▸ BCHE P06276 6/20 0.35
▸ ACHE P22303 6/20 0.35
▸ FAAH O00519 1/20 0.34
▸ FOS P01100 1/20 0.33
▸ JUN P05412 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PRMT3 O60678 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL12457520 0.83 BCHE (0.36) HDAC4HDAC6BCHEACHEFAAH
SCHEMBL19251150 0.81 FAAH (0.37) HDAC4HDAC6BCHEACHEFAAH
SCHEMBL18505712 0.80 HDAC4 (0.37) HDAC4HDAC6BCHEACHEFAAH
SCHEMBL12459149 0.79 HDAC4 (0.36) HDAC4HDAC6BCHEACHEFAAH
SCHEMBL17057367 0.76 ALDH1A1 (0.43) NFKB1NFKB2RELANPC1RAB9A
SCHEMBL13226836 0.76 HDAC4 (0.49) HDAC4HDAC6FAAHSMN1; SMN2
SCHEMBL12523417 0.72 SMN1; SMN2 (0.35) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15137171 0.72 ALDH1A1 (0.50) HDAC4HDAC6NPC1RAB9AMEN1
SCHEMBL15143994 0.72 HDAC4 (0.43) HDAC4HDAC6FAAHMEN1KMT2A
SCHEMBL13771963 0.72 HTT (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 — — US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 — — US disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 — — 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 (2 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-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B HDAC4 776/4885HDAC6 836/4885GPR119 4549/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B HDAC4 1046/4885HDAC6 892/4885GPR119 4529/4885

“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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