SCHEMBL4664969

SCHEMBL4664969

O=C1NC(CCc2ccccc2)C(O)=C1C(=O)c1snnc1Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 4/20 0.37
KCNJ11 Q14654 4/20 0.37
NR0B1 P51843 1/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
ATM Q13315 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL4664968 0.77 MEN1 (0.40) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4241441 0.75 NR0B1 (0.48) NR0B1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL28557461 0.73 NR0B1 (0.52) NR0B1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL4664683 0.72 NR0B1 (0.45) NR0B1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL4664915 0.70 NPC1 (0.48) NR0B1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL4664885 0.70 NR0B1 (0.43) NR0B1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL4244260 0.70 KMT2A (0.54) NR0B1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL4663013 0.70 GAA (0.42) NR0B1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL4663049 0.70 NR0B1 (0.38) NR0B1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL4663019 0.70 NR0B1 (0.44) NR0B1LMNASMN1; SMN2ALDH1A1MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US claimed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US claimed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP disclosed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US 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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 ABCC8 3588/4885KCNJ11 2546/4885NR0B1 106/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ABCC8 3588/4885KCNJ11 2546/4885NR0B1 106/4885

“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.