SCHEMBL2403872

SCHEMBL2403872

O=C1[N]C(=O)c2c1cccc2N1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NR1H3 Q13133 5/20 0.42
NR1H2 P55055 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CASP1 P29466 1/20 0.41
PDE6D O43924 1/20 0.40
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 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
SCHEMBL2552173 0.82 MGLL (0.53) ALDH1A1HTT
SCHEMBL5870552 0.81 HPGD (0.39) POLBALDH1A1HTTHSD17B10NR1H2
SCHEMBL4649466 0.76 POLB (0.65) POLBALDH1A1NR1H3NR1H2MEN1
SCHEMBL454828 0.71 POLB (0.51) POLBALDH1A1HSD17B10NR1H3NR1H2
SCHEMBL9067222 0.71 MGLL (0.68) POLBALDH1A1HTTHSD17B10NR1H3
SCHEMBL10621855 0.71 HDAC4 (0.47) ALDH1A1HTTHSD17B10NR1H2MEN1
SCHEMBL11110156 0.70 KMT2A (0.61) ALDH1A1HSD17B10MEN1KMT2ALMNA
SCHEMBL11860388 0.69 ADORA2A (0.62) POLBALDH1A1HTTNR1H3NR1H2
SCHEMBL19888 0.68 MEN1 (0.50) POLBALDH1A1HTTMEN1KMT2A
SCHEMBL27698994 0.68 POLB (0.44) POLBALDH1A1HTTHSD17B10NR1H3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558255-B1 DUAL BINDING SITE ACETYLCHOLINESTERASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE NEUROPHARMA SA (ES) 2006-12-27 EP claimed
US-20110212928-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2011-09-01 US disclosed
US-20050272649-A1 Conjoint administration of morphogens and ACE inhibitors in treatment of chronic renal failure STRYKER CORPORATION 2005-12-08 US disclosed
EP-1578360-A2 CONJOINT ADMINISTRATION OF MORPHOGENS AND ACE INHIBITORS IN TREATMENT OF CHRONIC RENAL FAILURE Curis, Inc. (US) 2005-09-28 EP disclosed
WO-2004019876-A2 CONJOINT ADMINISTRATION OF MORPHOGENS AND ACE INHIBITORS IN TREATMENT OF CHRONIC RENAL FAILURE CURIS, INC. (US) 2004-03-11 WO disclosed
US-4310461-A HYPTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-01-12 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-20050272649-A1 Conjoint administration of morphogens and ACE inhibitors in treatment of chronic renal failure BMPR2, BMP2, BMP1 POLB 4637/4885ALDH1A1 1747/4885HTT 4877/4885
US-20110212928-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION BACE1, BACE2, ACHE POLB 2662/4885ALDH1A1 2614/4885HTT 954/4885

“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.