SCHEMBL256479

SCHEMBL256479

C[C@H](NC(=O)C1CC1)c1ccc(-c2cnc(Oc3ccccc3)nc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.76
ACACA Q13085 5/20 0.60
RECQL P46063 1/20 0.53
HPGD P15428 1/20 0.49
LMNA P02545 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
SCHEMBL11998749 0.86 ACACB (1.00) ACACB
SCHEMBL256483 0.85 ACACB (0.74) ACACBACACA
SCHEMBL12001400 0.84 ACACB (0.77) ACACB
SCHEMBL256482 0.83 ACACB (0.74) ACACBACACAHPGDLMNA
SCHEMBL256481 0.81 ACACB (0.75) ACACBACACARECQLHPGD
SCHEMBL256884 0.81 ACACB (0.75) ACACBACACAHPGDLMNA
SCHEMBL12001220 0.80 HPGD (0.59) ACACBACACARECQLHPGDLMNA
SCHEMBL256475 0.78 ACACB (0.77) ACACBACACAHPGDLMNA
SCHEMBL12001455 0.77 ACACB (0.73) ACACBACACARECQLHPGD
SCHEMBL14314483 0.76 RECQL (0.87) ACACBRECQLHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 WO 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-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G ACACB 2257/4885ACACA 1796/4885RECQL 1068/4885

“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.