SCHEMBL3559103

SCHEMBL3559103

Cc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(CC(N)=O)c3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.44
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SHMT1 P34896 2/20 0.38
SHMT2 P34897 2/20 0.38
RORC P51449 1/20 0.35
THRB P10828 1/20 0.35
AOC3 Q16853 2/20 0.35
KCNH2 Q12809 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SIRT1 Q96EB6 1/20 0.34

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
SCHEMBL3099703 0.91 MCL1 (0.47) MCL1MEN1KMT2ASHMT1SHMT2
SCHEMBL3088660 0.90 SHMT1 (0.46) MCL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3109766 0.90 MCL1 (0.46) MCL1THRBAOC3KCNH2MAOA
SCHEMBL5052311 0.89 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2SHMT1
SCHEMBL3088661 0.89 MCL1 (0.40) MCL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3100961 0.89 MCL1 (0.46) MCL1SHMT1SHMT2THRBKCNH2
SCHEMBL3558995 0.89 ALDH1A1 (0.41) MCL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3108282 0.89 MCL1 (0.42) MCL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3096701 0.88 MCL1 (0.40) MCL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3093077 0.87 MCL1 (0.45) MCL1MEN1KMT2ASMN1; SMN2SHMT1

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 MCL1 55/4885ALDH1A1 328/4885MEN1 1160/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 MCL1 57/4885ALDH1A1 609/4885MEN1 1947/4885

“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.