SCHEMBL3405753

SCHEMBL3405753

COc1ccc2nc(C)c(=O)n(CCC=O)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 13/20 0.46
CYP1A2 P05177 7/20 0.45
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2C9 P11712 5/20 0.44
CYP2C19 P33261 4/20 0.44
TSHR P16473 3/20 0.44
USP2 O75604 2/20 0.44
PDE2A O00408 3/20 0.43
PDE7A Q13946 2/20 0.43
PDE5A O76074 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3A Q14432 1/20 0.43
PDE11A Q9HCR9 1/20 0.43
PDE7B Q9NP56 1/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 3/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL3786053 0.82 TSHR (0.46) PDE10ACYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL15850855 0.80 KCNH2 (0.48) PDE10ACYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL19211573 0.76 KCNH2 (0.43) CYP1A2
SCHEMBL15850811 0.74 CYP1A2 (0.41) PDE10ACYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL15850856 0.72 KCNH2 (0.47) PDE10ACYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL3844363 0.68 KCNH2 (0.43) PDE10ACYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL909870 0.68 CYP1A2 (0.46) PDE10ACYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL14032801 0.65 NNMT (0.50) PDE10ACYP1A2ALDH1A1PDE2APDE7A
SCHEMBL29935910 0.65 NNMT (0.50) PDE10ACYP1A2ALDH1A1PDE2APDE7A
SCHEMBL4135677 0.64 MTNR1A (0.40) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254887-B9 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-05-29 EP disclosed
US-8349826-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
EP-2254887-B1 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-12-19 EP disclosed
US-20100331308-A1 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 US disclosed
EP-2254887-A1 OXAZOLIDINONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-12-01 EP disclosed
WO-2009104159-A1 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 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-20100331308-A1 OXAZOLIDINONE DERIVATIVES OXA1L, UQCRB, O60361 PDE10A 2348/4885CYP1A2 210/4885ALDH1A1 367/4885

“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.