SCHEMBL17747762

SCHEMBL17747762

CON(C)C(=O)c1cnc(CC(C)C)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 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
SCHEMBL21333540 0.77 HDAC3 (0.44) CLK1DYRK1ADYRK1BTRPM8ALDH1A1
SCHEMBL10441535 0.77 HCAR2 (0.52) ALDH1A1HPGDPOLBMEN1NPC1
SCHEMBL15575294 0.75 CLK1 (0.43) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL22021995 0.75 HCAR2 (0.55) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL14355688 0.75 FFAR2 (0.39) L3MBTL1POLBMEN1NPC1RAB9A
SCHEMBL10183970 0.74 CLK1 (0.42) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL19764489 0.74 CLK1 (0.40) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL3162147 0.74 CDC7 (0.52) ALDH1A1LMNAHPGDL3MBTL1POLB
SCHEMBL17747759 0.73 EPHX2 (0.38) POLBHDAC3HDAC4HDAC6
SCHEMBL23039876 0.72 CLK1 (0.39) CLK1DYRK1ADYRK1BICAM1SELE

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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 US disclosed
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 US disclosed
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 FAAH 3604/4885CLK1 2195/4885DYRK1A 2880/4885

“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.