SCHEMBL4662979

SCHEMBL4662979

O=C(Cc1cn(Cc2ccc(F)cc2)c2ccccc12)C1=C(O)C(CCc2ccccc2)NC1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
CNR2 P34972 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP19A1 P11511 2/20 0.40

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 0.75 NR0B1 (0.45) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL1233547 0.74 ALDH1A1 (0.67) TP53RXFP1KMT2AMEN1POLB
SCHEMBL4664748 0.74 KDM4E (0.43) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL6029305 0.73 SLC6A2 (0.50) KMT2AMEN1ALDH1A1LMNACYP3A4
SCHEMBL4664739 0.73 TP53 (0.40) TP53RXFP1POLBLMNAMAPT
SCHEMBL4663221 0.71 RXFP1 (0.51) TP53RXFP1KMT2AMEN1POLB
SCHEMBL4664777 0.70 KMT2A (0.47) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL4664915 0.69 NPC1 (0.48) RXFP1KMT2AMEN1POLBALDH1A1
SCHEMBL8180730 0.69 ALDH1A1 (0.60) TP53RXFP1KMT2AMEN1POLB
SCHEMBL20250911 0.68 RXFP1 (0.62) TP53RXFP1KMT2AMEN1POLB

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 TP53 1776/4885RXFP1 1252/4885KMT2A 3781/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 TP53 1776/4885RXFP1 1252/4885KMT2A 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.