SCHEMBL13501434

SCHEMBL13501434

CC(C)(C)c1cccc(C(=O)NCC(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.53
NR1H4 Q96RI1 3/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
TP53BP1 Q12888 1/20 0.48
CTSL P07711 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
GPR139 Q6DWJ6 1/20 0.46
CCR2 P41597 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ESRRG P62508 1/20 0.44
EPHX2 P34913 1/20 0.44
SPHK2 Q9NRA0 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GPR52 Q9Y2T5 1/20 0.43

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
SCHEMBL25512865 0.86 ALDH1A1 (0.49) ALDH1A1POLBTP53BP1MRGPRX4GPR139
SCHEMBL25512864 0.86 ALDH1A1 (0.49) ALDH1A1POLBTP53BP1MRGPRX4GPR139
SCHEMBL7641409 0.85 POLB (0.65) ALDH1A1POLBTP53BP1MRGPRX4GPR139
SCHEMBL13155121 0.83 ALDH1A1 (0.57) ACHENR1H4HDAC8HDAC6ALDH1A1
SCHEMBL13698098 0.82 ACHE (0.60) ACHENR1H4HDAC8HDAC6ALDH1A1
SCHEMBL13483890 0.82 EPHX2 (0.62) NR1H4HDAC8HDAC6KMT2AMEN1
SCHEMBL23191205 0.82 ALDH1A1 (0.57) ACHENR1H4HDAC8HDAC6ALDH1A1
SCHEMBL20206540 0.81 ACHE (0.55) ACHENR1H4HDAC8HDAC6ALDH1A1
SCHEMBL12201910 0.80 POLB (0.58) ACHENR1H4HDAC8HDAC6ALDH1A1
SCHEMBL23714965 0.80 MRGPRX4 (0.41) ALDH1A1POLBTP53BP1MRGPRX4GPR139

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-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 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-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 ACHE 4883/4885NR1H4 2002/4885HDAC8 1478/4885

“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.