SCHEMBL1193774

SCHEMBL1193774

O=C(CCCCO)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.72
HDAC4 P56524 1/20 0.72
HDAC1 Q13547 1/20 0.72
HDAC7 Q8WUI4 1/20 0.72
HDAC2 Q92769 1/20 0.72
HDAC10 Q969S8 1/20 0.72
HDAC11 Q96DB2 1/20 0.72
HDAC8 Q9BY41 1/20 0.72
HDAC6 Q9UBN7 1/20 0.72
HDAC9 Q9UKV0 1/20 0.72
HDAC5 Q9UQL6 1/20 0.72
EPHX2 P34913 8/20 0.70
GBA1 P04062 5/20 0.62
HTT P42858 1/20 0.60
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
FAAH O00519 1/20 0.55

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
SCHEMBL12237542 0.85 HDAC3 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20985682 0.85 HDAC3 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12237547 0.84 EPHX2 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21019534 0.84 EPHX2 (0.97) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15310250 0.84 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10532396 0.84 EPHX2 (0.90) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8296332 0.84 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12931877 0.82 EPHX2 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5355989 0.82 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5477403 0.82 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220060-B1 TETRAHYDROBENZOTHIAZOLE DERIVATIVES MOTAC NEUROSCIENCE LTD (GB) 2016-09-14 EP disclosed
US-8389555-B2 Medicaments MOTAC NEUROSCIENCE LIMITED (GB) 2013-03-05 US disclosed
US-20110046153-A1 Medicaments MOTAC NEUROSCIENCE LIMITED (GB) 2011-02-24 US disclosed
EP-2220060-A1 MEDICAMENTS Motac Neuroscience Limited (GB) 2010-08-25 EP disclosed
WO-2009056805-A1 MEDICAMENTS MOTAC NEUROSCIENCE LIMITED (GB) 2009-05-07 WO 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-20110046153-A1 Medicaments MTNR1A, SIGMAR1, OPRK1 HDAC3 2112/4885HDAC4 2542/4885HDAC1 753/4885

“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.