SCHEMBL255805

SCHEMBL255805

CCOc1ccc(C#Cc2ccc(CCNC(C)=O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 1.00
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 1/20 0.59
NPC1 O15118 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL12475741 0.93 ACACB (0.86) ACACBSMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL255790 0.89 ACACB (1.00) ACACBSMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL12001427 0.88 ACACB (0.79) ACACBSMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL11998877 0.88 ACACB (1.00) ACACB
SCHEMBL165793 0.87 ACACB (1.00) ACACBSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL255789 0.85 ACACB (1.00) ACACBSMN1; SMN2
SCHEMBL255792 0.84 ACACB (1.00) ACACB
SCHEMBL255791 0.83 ACACB (1.00) ACACBSMN1; SMN2
SCHEMBL12001302 0.83 ACACB (0.77) ACACBSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL11969767 0.83 ACACB (1.00) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 EP disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
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 2257/4885SMN1; SMN2 4653/4885ALDH1A1 1739/4885

“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.