SCHEMBL4663291

SCHEMBL4663291

CN(CC(=O)C1=C(O)C(CCc2ccccc2)NC1=O)C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR0B1 P51843 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MLYCD O95822 2/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 1/20 0.37
POLB P06746 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL4664683 0.80 NR0B1 (0.45) NR0B1MEN1KMT2AALDH1A1LMNA
SCHEMBL28557461 0.78 NR0B1 (0.52) NR0B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4664915 0.77 NPC1 (0.48) NR0B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4664917 0.76 NR0B1 (0.46) NR0B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4664820 0.75 NR0B1 (0.42) NR0B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4244260 0.75 KMT2A (0.54) NR0B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4666721 0.73 GPR84 (0.41) NR0B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4663276 0.73 NPC1 (0.50) NR0B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4665011 0.72 SMN1; SMN2 (0.45) NR0B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4663204 0.72 NR0B1 (0.44) NR0B1MEN1KMT2AALDH1A1LMNA

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 NR0B1 106/4885MEN1 1292/4885KMT2A 3781/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 NR0B1 106/4885MEN1 1292/4885KMT2A 3781/4885

“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.