SCHEMBL3463154

SCHEMBL3463154

COc1ncc(C(=N)NO)cc1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.36
HDAC6 Q9UBN7 6/20 0.36
HDAC3 O15379 5/20 0.36
HDAC2 Q92769 5/20 0.36
PIK3CA P42336 2/20 0.34
PIK3R1 P27986 1/20 0.33
MTOR P42345 1/20 0.33
CTSA P10619 2/20 0.31
MGLL Q99685 1/20 0.30

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
SCHEMBL3727871 0.83 AURKA (0.34) HDAC1HDAC6HDAC3HDAC2
SCHEMBL1425157 0.76 KMT2A (0.35) HDAC1HDAC6HDAC3HDAC2
SCHEMBL1727074 0.76 NOS3 (0.47) HDAC1HDAC6HDAC3HDAC2PIK3CA
SCHEMBL4390565 0.76 ATM (0.51)
SCHEMBL608534 0.74 GPR183 (0.36) HDAC1HDAC6HDAC3HDAC2
SCHEMBL3430654 0.74 HCAR2 (0.44) CTSA
SCHEMBL27248266 0.74 PIK3R1 (0.32) PIK3CAPIK3R1MTORCTSAMGLL
SCHEMBL931895 0.72 C1S (0.41)
SCHEMBL3463153 0.70 RECQL (0.41) PIK3CAPIK3R1MTOR
SCHEMBL9953743 0.70 CNR2 (0.34)

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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US 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 HDAC1 1246/4885HDAC6 1079/4885HDAC3 1211/4885

“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.