SCHEMBL1075375

SCHEMBL1075375

C=C(C(=O)OCC)c1c(Cl)cnc2ccc(OC)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.36
PDE10A Q9Y233 3/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASP1 P29466 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TLR9 Q9NR96 1/20 0.34
KCNH2 Q12809 1/20 0.33
HPGD P15428 1/20 0.33
KLKB1 P03952 2/20 0.33

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
SCHEMBL2766836 0.88 KCNH2 (0.35) ALDH1A1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL1075970 0.86 KCNH2 (0.38) PDE10APDGFRBPDGFRAALDH1A1KDM4E
SCHEMBL29050321 0.79 POLB (0.42) ALDH1A1KDM4EHSD17B10KCNH2
SCHEMBL29050335 0.79 HPGD (0.37) ALDH1A1SMN1; SMN2MAPTMAPK1HSD17B10
SCHEMBL2038295 0.78 NNMT (0.44) PDE10AKCNH2
SCHEMBL3163891 0.77 PDE2A (0.36) PDE10AALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL3155020 0.77 SMN1; SMN2 (0.37) KDM4ESMN1; SMN2MAPTKCNH2
SCHEMBL3548109 0.74 KCNH2 (0.40) KCNH2
SCHEMBL621738 0.74 KMT2A (0.51) DYRK1AALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL1039002 0.74 NMT2 (0.44) PDE10AALDH1A1KDM4ESMN1; SMN2NPSR1

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 DYRK1A 1993/4885PDE10A 4474/4885PDGFRB 4139/4885

“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.