SCHEMBL2469013

SCHEMBL2469013

CCOC(=O)c1nn(Cc2ccccc2)c2c1CCC(C)(C)C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
F2RL3 Q96RI0 1/20 0.42
MAPT P10636 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
LMNA P02545 1/20 0.41
OPRM1 P35372 1/20 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
SCHEMBL2472715 0.89 GABRA1 (0.46) CYP19A1MAPK1SMN1; SMN2POLBALDH1A1
SCHEMBL2471625 0.87 ITK (0.43) CYP19A1POLBALDH1A1HPGD
SCHEMBL2470457 0.84 OPRM1 (0.39) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL2473696 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL182381 0.83 CYP19A1 (0.53) CYP19A1MAPK1SMN1; SMN2POLBTDP1
SCHEMBL10479516 0.83 CYP19A1 (0.53) CYP19A1MAPK1SMN1; SMN2POLBTDP1
SCHEMBL2534722 0.79 ACHE (0.34) ALDH1A1KDM4EHPGDMAPTOPRM1
SCHEMBL2473575 0.79 PDE4A (0.40) SMN1; SMN2ALDH1A1PDE4APDE4BPDE4C
SCHEMBL13935668 0.78 CYP19A1 (0.50) CYP19A1MAPK1SMN1; SMN2POLBTDP1
SCHEMBL2473191 0.78 CCNA2 (0.38) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10

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 8 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
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
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
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 CYP19A1 1847/4885MAPK1 2094/4885SMN1; SMN2 1494/4885

“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.