SCHEMBL1038019

SCHEMBL1038019

CCOC(=O)C(C(=O)OCC)c1ccnc2ccc(F)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
IDO1 P14902 4/20 0.44
TSHR P16473 1/20 0.43
NMT2 O60551 1/20 0.43
NMT1 P30419 1/20 0.43
PDE10A Q9Y233 2/20 0.41
MAPT P10636 3/20 0.40
AAK1 Q2M2I8 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PRNP P04156 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6176426 0.81 KDM4E (0.43) GAAMEN1KMT2ATSHRMAPT
SCHEMBL1038020 0.80 IDO1 (0.46) GAAMEN1HPGDKMT2AIDO1
SCHEMBL30747808 0.78 TSHR (0.58) GAAMEN1HPGDKMT2ATSHR
SCHEMBL9366709 0.74 MAPT (0.49) MEN1HPGDKMT2ATSHRMAPT
SCHEMBL21138127 0.74 CCNC (0.45) IDO1AAK1SLC22A12
SCHEMBL24469567 0.73 GAK (0.44) IDO1AAK1SLC22A12
SCHEMBL28682421 0.73 IDO1 (0.58) IDO1
SCHEMBL28682418 0.73 IDO1 (0.58) IDO1
SCHEMBL5004400 0.73 CASP1 (0.41) MEN1KMT2ATSHRMAPTNPSR1
SCHEMBL21475931 0.73 IDO1 (0.65) IDO1

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-8012961-B2 Tricyclic antibiotics ACTELION PHARMACEUTICAL LTD. (CH) 2011-09-06 US disclosed
US-20110039836-A1 TRICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-17 US disclosed
EP-2276766-A1 TRICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2011-01-26 EP disclosed
WO-2009128019-A1 TRICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2009-10-22 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-20110039836-A1 TRICYCLIC ANTIBIOTICS OPRM1, UBE2D3, METTL3 GAA 2909/4885MEN1 1111/4885HPGD 2754/4885

“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.