SCHEMBL4663276

SCHEMBL4663276

Cc1ccc(C(=O)NCC(=O)C2=C(O)C(CCc3ccccc3)NC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
SCN5A Q14524 3/20 0.39
SCN2A Q99250 3/20 0.39
NR0B1 P51843 1/20 0.39
MAPT P10636 1/20 0.39
MAPK14 Q16539 1/20 0.38

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
SCHEMBL4664917 0.85 NR0B1 (0.46) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL4662976 0.83 NPC1 (0.53) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL4664683 0.77 NR0B1 (0.45) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL27643354 0.76 MEN1 (0.42) NPC1RAB9APOLBLMNAMEN1
SCHEMBL4666721 0.75 GPR84 (0.41) NPC1RAB9APOLBLMNAMEN1
SCHEMBL4664915 0.75 NPC1 (0.48) NPC1RAB9APOLBLMNAMEN1
SCHEMBL4244260 0.75 KMT2A (0.54) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL4663291 0.73 NR0B1 (0.41) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL13744418 0.71 NPC1 (0.40) NPC1RAB9APOLBLMNAMEN1
SCHEMBL4665011 0.70 SMN1; SMN2 (0.45) POLBLMNAMEN1KMT2AALDH1A1

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 1709/4885RAB9A 788/4885POLB 1560/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 NPC1 1709/4885RAB9A 788/4885POLB 1560/4885

“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.