SCHEMBL4663221

SCHEMBL4663221

O=C(Cc1cn(Cc2ccc(F)cc2)c2ccccc12)C1=C(O)C(CC2CCCCC2)OC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.51
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.41
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM1A O60341 1/20 0.40
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALOX12 P18054 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL4662982 0.82 TP53 (0.42) MEN1KMT2ATP53LMNAMAPT
SCHEMBL4664710 0.74 CNR2 (0.41) MEN1KMT2ATP53CNR2ALDH1A1
SCHEMBL4665106 0.72 MTNR1A (0.44) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL4664878 0.72 MTNR1A (0.42) RXFP1MEN1KMT2ATP53ALDH1A1
SCHEMBL27643419 0.72 RXFP1 (0.49) RXFP1MEN1KMT2APOLBTP53
SCHEMBL4662979 0.71 TP53 (0.47) RXFP1MEN1KMT2APOLBTP53
SCHEMBL1233547 0.71 ALDH1A1 (0.67) RXFP1MEN1KMT2APOLBTP53
SCHEMBL4664859 0.69 LMNA (0.45) KMT2ATP53LMNASMN1; SMN2
SCHEMBL4663026 0.69 RAB9A (0.38) POLBTP53ALDH1A1LMNAMAPT
SCHEMBL8418039 0.68 POLB (0.59) RXFP1MEN1KMT2APOLBTP53

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 RXFP1 1252/4885MEN1 1292/4885KMT2A 3781/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 RXFP1 1252/4885MEN1 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.