SCHEMBL3900697

SCHEMBL3900697

COc1cc2nccc(Oc3ccc(C)nc3[N+](=O)[O-])c2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 3/20 0.53
PDGFRB P09619 1/20 0.53
SRC P12931 5/20 0.53
TGFBR1 P36897 5/20 0.53
S1PR4 O95977 2/20 0.53
KDR P35968 2/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL3895541 0.81 PDGFRB (0.62) PDGFRAPDGFRBSRCTGFBR1
SCHEMBL3896433 0.80 SRC (0.66) PDGFRAPDGFRBSRCTGFBR1KDR
SCHEMBL5824446 0.80 PDGFRA (0.60) PDGFRAPDGFRBSRCTGFBR1KDR
SCHEMBL3899782 0.80 SRC (0.63) PDGFRAPDGFRBSRCTGFBR1KDR
SCHEMBL3894186 0.79 PDGFRB (0.59) PDGFRAPDGFRBSRCTGFBR1
SCHEMBL14540645 0.79 PDGFRB (0.59) PDGFRAPDGFRBSRCTGFBR1
SCHEMBL29079739 0.78 PDGFRA (0.56) PDGFRAPDGFRBSRCTGFBR1KDR
SCHEMBL30574470 0.78 PDGFRA (0.56) PDGFRAPDGFRBSRCTGFBR1KDR
SCHEMBL4486934 0.77 PDGFRA (0.61) PDGFRAPDGFRBSRCTGFBR1KDR
SCHEMBL29487188 0.77 PDGFRA (0.59) PDGFRAPDGFRBSRCTGFBR1KDR

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
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 US disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 US disclosed
US-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-25 US disclosed
EP-1548008-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-06-29 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 (2 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-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same TGFB1, TGFBR1, TGFBR2 PDGFRA 36/4885PDGFRB 16/4885SRC 399/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 PDGFRA 32/4885PDGFRB 14/4885SRC 496/4885

“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.