SCHEMBL3906503

SCHEMBL3906503

CCOC(=O)c1c(O)c(C)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
LMNA P02545 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NMT2 O60551 1/20 0.56
NMT1 P30419 1/20 0.56
PDE10A Q9Y233 1/20 0.54
ADORA3 P0DMS8 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51

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
SCHEMBL538291 0.90 SMN1; SMN2 (0.69) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL8170480 0.86 MEN1 (0.73) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL31442541 0.85 SMN1; SMN2 (0.71) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL10256511 0.85 SMN1; SMN2 (0.71) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL27276256 0.84 SMN1; SMN2 (0.55) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL27659536 0.84 SMN1; SMN2 (0.58) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL29860485 0.84 SMN1; SMN2 (0.58) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL620365 0.82 TP53 (0.68) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL1468948 0.82 SMN1; SMN2 (0.67) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL1527122 0.82 PDE10A (0.72) LMNAMEN1KMT2APDE10AERN1

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-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-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 SMN1; SMN2 3891/4885LMNA 1213/4885MEN1 1660/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 SMN1; SMN2 3772/4885LMNA 1416/4885MEN1 1711/4885

“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.