SCHEMBL2468865

SCHEMBL2468865

CCOC(=O)CCNC(=O)c1ccc(-c2noc(-c3nn(CC)c4c3CCC(C)(C)C4)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.39
MCHR1 Q99705 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC4 P56524 5/20 0.35
HDAC6 Q9UBN7 5/20 0.35
HDAC1 Q13547 3/20 0.35
GCG P01275 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
NCOR2 Q9Y618 1/20 0.35
S1PR3 Q99500 2/20 0.35
TRPM2 O94759 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 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
SCHEMBL2472389 0.91 S1PR1 (0.44) S1PR1MCHR1HDAC4HDAC6HDAC1
SCHEMBL16503772 0.88 TRPM2 (0.46) S1PR1MCHR1MEN1KMT2AHDAC4
SCHEMBL3462747 0.86 MAPT (0.39) S1PR1MEN1KMT2AS1PR3
SCHEMBL13262937 0.86 HDAC4 (0.40) S1PR1HDAC4HDAC6S1PR3TRPM2
SCHEMBL2467672 0.84 SMYD3 (0.45) HDAC4HDAC6HDAC1
SCHEMBL2458635 0.83 S1PR1 (0.42) S1PR1S1PR3TRPM2
SCHEMBL2470518 0.83 ALOX5AP (0.40)
SCHEMBL2474869 0.83 S1PR1 (0.38) S1PR1S1PR3
SCHEMBL2474311 0.82 NPC1 (0.39) S1PR1HDAC4HDAC6HDAC1HDAC8
SCHEMBL13262653 0.81 S1PR1 (0.42) S1PR1S1PR3TRPM2

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
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 EP disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 EP 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 S1PR1 1/4885MCHR1 861/4885MEN1 3027/4885

“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.