SCHEMBL5253472

SCHEMBL5253472

CCOC(=O)/C(Cl)=N\Nc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.63
LMNA P02545 3/20 0.63
ALDH1A1 P00352 4/20 0.62
NPSR1 Q6W5P4 3/20 0.62
HPGD P15428 2/20 0.62
ATM Q13315 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
RECQL P46063 1/20 0.52
KYAT1 Q16773 6/20 0.51
HTT P42858 1/20 0.49

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
SCHEMBL13901608 1.00 GAA (0.63) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL5253476 1.00 GAA (0.63) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL11767611 0.87 KYAT1 (0.60) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL16730420 0.87 KYAT1 (0.60) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL11767616 0.87 KYAT1 (0.60) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL16361794 0.86 MEN1 (0.65) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL3560755 0.86 MEN1 (0.65) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL3560757 0.86 MEN1 (0.65) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL2487154 0.85 KYAT1 (0.52) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL1998080 0.85 KYAT1 (0.52) GAALMNAALDH1A1NPSR1HPGD

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-7329651-B2 Cannabimimetic ligands UNIVERSITY OF CONNECTICUT (US) 2008-02-12 US disclosed
EP-1805179-A2 PREPARATION OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES Brystol-Myers Squibb Company (US) 2007-07-11 EP disclosed
WO-2006135425-A2 PREPARATION OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-21 WO disclosed
US-20060069085-A1 Preparation of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY 2006-03-30 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 (1 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-20060069085-A1 Preparation of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones F2, TFPI, TFPI2 GAA 2145/4885LMNA 578/4885ALDH1A1 1834/4885

“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.