SCHEMBL1963358

SCHEMBL1963358

CC(C)Oc1ccc(C(=N)NO)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 4/20 0.40
F2 P00734 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
MAPT P10636 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALOX12 P18054 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
PRSS1 P07477 1/20 0.37
TMPRSS15 P98073 1/20 0.37
POLB P06746 2/20 0.36
XDH P47989 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL177272 0.83 HDAC1 (0.43) PLAUHDAC1HDAC8HDAC6F2
SCHEMBL1963869 0.83 RORC (0.49) HDAC1HDAC8HDAC6F2PRSS1
SCHEMBL22396445 0.82 HDAC1 (0.46) PLAUHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL16956910 0.80 ALDH1A1 (0.44) PLAUHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL15662162 0.79 HDAC1 (0.40) PLAUHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL23876904 0.79 XDH (0.47) XDH
SCHEMBL1964098 0.79 RXRA (0.45) HDAC1HDAC8HDAC6MAPTCYP2C19
SCHEMBL1980076 0.77 NOTUM (0.56) PLAUHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL403444 0.77 CA12 (0.54) PLAUHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL401131 0.77 KMT2A (0.53) PLAUHDAC1HDAC8HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
EP-2109364-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2009-10-21 EP disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 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 (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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 PLAU 4372/4885HDAC1 1256/4885HDAC8 2055/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 PLAU 4372/4885HDAC1 1256/4885HDAC8 2055/4885

“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.