SCHEMBL1739366

SCHEMBL1739366

C=CCc1ccc(C(N)=NO)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 1/20 0.42
XDH P47989 1/20 0.42
MAPT P10636 5/20 0.41
GAA P10253 4/20 0.41
KMT2A Q03164 4/20 0.41
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
ALDH2 P05091 1/20 0.41
AKR1B1 P15121 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 3/20 0.40
ALOX5 P09917 3/20 0.40

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
SCHEMBL1739363 1.00 ALDH1A1 (0.42) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL536634 0.80 GAA (0.40) ALDH1A1MAPTGAAKMT2ANPSR1
SCHEMBL536635 0.80 GAA (0.40) ALDH1A1MAPTGAAKMT2ANPSR1
SCHEMBL17892837 0.77 XDH (0.47) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL20529814 0.76 KDM1A (0.46) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL1739395 0.76 GABRA1 (0.35) MAPTGAAKMT2AGABRA1GABRB2
SCHEMBL1739396 0.76 GABRA1 (0.35) MAPTGAAKMT2AGABRA1GABRB2
SCHEMBL12385578 0.76 GAA (0.39) ALDH1A1GAAKMT2AGABRA1TP53
SCHEMBL28739921 0.76 NR1H4 (0.47) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL1739369 0.73 XDH (0.43) ALDH1A1PPARGPPARDPPARAXDH

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 4 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-2390252-A1 New pyrazole derivatives Almirall, S.A. (ES) 2011-11-30 EP 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

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 ALDH1A1 1042/4885PPARG 593/4885PPARD 212/4885

“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.