SCHEMBL4029975

SCHEMBL4029975

COc1cccc(-c2ncoc2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
NPC1 O15118 7/20 0.42
RAB9A P51151 6/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 7/20 0.41
POLB P06746 3/20 0.41
GAA P10253 2/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
HPGD P15428 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 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
SCHEMBL4032592 0.84 TGFBR1 (0.55) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL4029750 0.81 TGFBR1 (0.47) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL4032916 0.80 TGFBR1 (0.40) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL4035328 0.79 MAPT (0.55) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL4032928 0.79 KDM4E (0.44) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL4035678 0.76 TGFBR1 (0.56) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL4035251 0.69 KDM4E (0.50) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL9504920 0.68 KDM4E (0.48) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL4029726 0.68 TGFBR1 (0.55) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL4062144 0.67 HSP90AA1 (0.56) MAPTNPC1RAB9AKDM4EGAA

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
EP-1542994-B1 NOVEL OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR PFIZER PROD INC (US) 2009-04-29 EP claimed
EP-1542994-B1 NOVEL OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR PFIZER PROD INC (US) 2009-04-29 EP disclosed
US-7273936-B2 Oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2007-09-25 US disclosed
EP-1542994-A1 NOVEL TRIAZOLE AND OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040110797-A1 Novel oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-06-10 US disclosed
WO-2004026863-A1 NOVEL OXAZOLE AND THIAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PRODUCTS INC. (US) 2004-04-01 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-20040110797-A1 Novel oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors TGFBR1, TGFBR2, SMAD3 MAPT 1874/4885NPC1 3424/4885RAB9A 4469/4885

“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.