SCHEMBL470112

SCHEMBL470112

CCNC(=O)C(C)c1ccc(-c2cnc(Cl)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.41
VEGFA P15692 1/20 0.40
FLT1 P17948 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
GPR88 Q9GZN0 1/20 0.39
FFAR2 O15552 1/20 0.39
PTGS2 P35354 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL455230 0.84 ACACB (0.50) ACACB
SCHEMBL470097 0.84 ACACB (0.40) ACACBGPR88CDK2
SCHEMBL10138141 0.84 KIF11 (0.47) ACACBTSHRGPR88PTGS2
SCHEMBL10138146 0.80 ACACB (0.43) ACACBGPR88
SCHEMBL14990339 0.80 AAK1 (0.46) FLT1LMNAMAPTPTGS2CDK2
SCHEMBL10138144 0.79 GAA (0.49) ACACBMAPTGPR88PTGS2
SCHEMBL6195873 0.79 TSHR (0.59) ACACBTSHRFFAR2
SCHEMBL470123 0.75 GAA (0.54) ACACBALDH1A1GPR88
SCHEMBL16235862 0.74 MAPT (0.53) ACACBLMNAMAPTTDP1GPR88
SCHEMBL12001238 0.72 ACACB (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 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-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G ACACB 2257/4885VEGFA 3488/4885FLT1 4513/4885

“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.