SCHEMBL13154802

SCHEMBL13154802

CC(C)(C)c1cccc(NC(=O)C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.66
HDAC3 O15379 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
ACHE P22303 1/20 0.54
TP53 P04637 1/20 0.53
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
P2RX1 P51575 1/20 0.51
KCNJ6 P48051 1/20 0.51
KCNJ5 P48544 1/20 0.51
KCNJ3 P48549 1/20 0.51
CYP2C19 P33261 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50

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
SCHEMBL2883710 0.86 MAPT (0.68) L3MBTL1TP53MAPTMEN1HTT
SCHEMBL13015648 0.86 NPSR1 (0.65) L3MBTL1HDAC3HDAC8HDAC6TP53
SCHEMBL13154970 0.84 HDAC3 (0.52) L3MBTL1HDAC3HDAC8HDAC6ACHE
SCHEMBL20981664 0.84 L3MBTL1 (0.82) L3MBTL1HDAC3HDAC8HDAC6TP53
SCHEMBL32675964 0.82 RAF1 (0.65) HDAC3HDAC8HDAC6MAPTMEN1
SCHEMBL22024980 0.82 KMT2A (0.77) TP53MAPTMEN1HTTRAB9A
SCHEMBL30695893 0.81 HDAC8 (0.62) HDAC3HDAC8HDAC6TP53MAPT
SCHEMBL2093456 0.81 HDAC8 (0.62) HDAC3HDAC8HDAC6ACHETP53
SCHEMBL2093458 0.81 HDAC8 (0.62) HDAC3HDAC8HDAC6TP53MAPT
SCHEMBL1689404 0.81 HDAC3 (0.62) L3MBTL1HDAC3HDAC8HDAC6TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 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

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-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 L3MBTL1 4100/4885HDAC3 2386/4885HDAC8 1478/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 L3MBTL1 4100/4885HDAC3 2386/4885HDAC8 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.