SCHEMBL4663013

SCHEMBL4663013

Cc1cnc(C(=O)C2=C(O)C(CCc3ccccc3)NC2=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
LMNA P02545 4/20 0.41
NR0B1 P51843 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
NFKB1 P19838 1/20 0.37
PSMB5 P28074 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL4663049 0.83 NR0B1 (0.38) LMNANR0B1SMN1; SMN2ALDH1A1MEN1
SCHEMBL28557461 0.77 NR0B1 (0.52) GAALMNANR0B1SMN1; SMN2ALDH1A1
SCHEMBL4241441 0.77 NR0B1 (0.48) LMNANR0B1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4663019 0.76 NR0B1 (0.44) LMNANR0B1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4244260 0.74 KMT2A (0.54) LMNANR0B1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4664885 0.74 NR0B1 (0.43) LMNANR0B1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4664683 0.74 NR0B1 (0.45) LMNANR0B1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4662961 0.73 SMN1; SMN2 (0.41) LMNANR0B1SMN1; SMN2ALDH1A1MEN1
SCHEMBL6028102 0.72 GAA (0.47) GAALMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL4664915 0.72 NPC1 (0.48) LMNANR0B1SMN1; SMN2ALDH1A1MEN1

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 4 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
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
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 GAA 70/4885LMNA 1625/4885NR0B1 106/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 GAA 70/4885LMNA 1625/4885NR0B1 106/4885

“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.