SCHEMBL3786053

SCHEMBL3786053

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
PDE10A Q9Y233 12/20 0.46
CYP1A2 P05177 6/20 0.45
CYP3A4 P08684 4/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP2C9 P11712 4/20 0.44
CYP2C19 P33261 4/20 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 2/20 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
SCHEMBL3405753 0.82 PDE10A (0.46) TSHRPDE10ACYP1A2CYP3A4ALDH1A1
SCHEMBL15850926 0.76 CYP1A2 (0.46) TSHRPDE10ACYP1A2CYP3A4ALDH1A1
SCHEMBL4120167 0.69 PDE10A (0.49) PDE10APDE2APDE7APDE5APDE4A
SCHEMBL3789136 0.67 CYP1A2 (0.47) TSHRPDE10ACYP1A2CYP3A4ALDH1A1
SCHEMBL7834524 0.66 PDE10A (0.47) PDE10APDE2APDE7APDE5APDE4A
SCHEMBL15850856 0.65 KCNH2 (0.47) TSHRPDE10ACYP1A2CYP3A4ALDH1A1
SCHEMBL4312355 0.65 PDE10A (0.37) PDE10A
SCHEMBL13912908 0.64 KDM4E (0.42) PDE10AALDH1A1HSD17B10
SCHEMBL12046238 0.64 CYP1A2 (0.50) TSHRPDE10ACYP1A2CYP3A4ALDH1A1
SCHEMBL15850859 0.64 KCNH2 (0.44) TSHRPDE10ACYP1A2CYP3A4ALDH1A1

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
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

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 TSHR 1272/4885PDE10A 2348/4885CYP1A2 210/4885

“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.