SCHEMBL4662976

SCHEMBL4662976

O=C(CNC(=O)c1cccnc1)C1=C(O)C(CCc2ccccc2)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
EPHX2 P34913 3/20 0.51
THRB P10828 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PLOD2 O00469 1/20 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
SCHEMBL4663276 0.83 NPC1 (0.50) NPC1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL4664917 0.80 NR0B1 (0.46) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL28761344 0.78 ALDH1A1 (0.44) NPC1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL4664915 0.73 NPC1 (0.48) NPC1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL4663291 0.71 NR0B1 (0.41) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL2129716 0.71 RAB9A (1.00) NPC1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL30969954 0.71 RAB9A (1.00) NPC1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL4244260 0.70 KMT2A (0.54) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL13744418 0.69 NPC1 (0.40) NPC1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL4182430 0.69 EPHX2 (1.00) NPC1KMT2AMEN1RAB9ASMN1; SMN2

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 NPC1 1709/4885KMT2A 3781/4885MEN1 1292/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 NPC1 1709/4885KMT2A 3781/4885MEN1 1292/4885

“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.