SCHEMBL3553767

SCHEMBL3553767

C=CC(=O)Nc1cccc(-c2ccc3c(C)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.43
ITK Q08881 2/20 0.43
MCL1 Q07820 1/20 0.42
MAP2K7 O14733 2/20 0.41
PLCG1 P19174 4/20 0.39
EGFR P00533 2/20 0.38
AURKA O14965 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.38
TDP2 O95551 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
SCHEMBL3557513 0.90 MCL1 (0.48) MCL1MEN1ALDH1A1HTTKMT2A
SCHEMBL5010939 0.87 MCL1 (0.43) MCL1ALDH1A1THRB
SCHEMBL5010251 0.85 MCL1 (0.42) MCL1MEN1ALDH1A1HTTKMT2A
SCHEMBL3558055 0.85 MCL1 (0.42) MCL1THRB
SCHEMBL3551343 0.85 BTK (0.43) BTKMCL1KMT2ATHRB
SCHEMBL5010265 0.85 ALDH1A1 (0.42) MCL1ALDH1A1HTT
SCHEMBL3560389 0.84 MCL1 (0.52) MCL1MEN1ALDH1A1HTTKMT2A
SCHEMBL3553532 0.83 MCL1 (0.43) MCL1THRB
SCHEMBL3092548 0.83 MCL1 (0.48) MCL1MEN1ALDH1A1HTTKMT2A
SCHEMBL3102308 0.82 MCL1 (0.50) MCL1MEN1HTTKMT2ATHRB

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-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders BAER PHAMACEUTICALS CORPORATION (US) 2006-08-31 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-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders MKI67, PCNA, CCNI BTK 1365/4885ITK 3875/4885MCL1 55/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 BTK 1380/4885ITK 3988/4885MCL1 57/4885

“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.