SCHEMBL4035328

SCHEMBL4035328

c1ccc(-c2ncoc2-c2ccc3c(c2)OCO3)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
POLB P06746 4/20 0.55
TP53 P04637 2/20 0.55
PKM P14618 2/20 0.55
ESR2 Q92731 1/20 0.55
TGFBR1 P36897 5/20 0.53
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
DCTPP1 Q9H773 1/20 0.47
KDM4E B2RXH2 8/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ACVR1B P36896 2/20 0.47
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 2/20 0.46

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 0.82 TGFBR1 (0.55) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL4569965 0.81 RAB9A (0.68) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL29496949 0.81 RAB9A (0.68) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL29496952 0.81 RAB9A (0.68) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL4029750 0.79 TGFBR1 (0.47) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL4029975 0.79 MAPT (0.42) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL4032928 0.79 KDM4E (0.44) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL4032916 0.77 TGFBR1 (0.40) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL4032644 0.77 TGFBR1 (0.46) MAPTNPC1POLBTGFBR1MAPK13
SCHEMBL6600949 0.75 RAB9A (0.54) MAPTRAB9ANPC1SMN1; SMN2POLB

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 1874/4885RAB9A 4469/4885NPC1 3424/4885

“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.