SCHEMBL3558055

SCHEMBL3558055

Cc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(NC(=O)C(F)F)c3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.42
MAP4K4 O95819 1/20 0.40
GRIK1 P39086 1/20 0.39
THRB P10828 3/20 0.38
CNR1 P21554 9/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.36

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) MCL1GRIK1THRBCNR1NPC1
SCHEMBL5010251 0.87 MCL1 (0.42) MCL1GRIK1THRBCNR1NPC1
SCHEMBL5010939 0.87 MCL1 (0.43) MCL1GRIK1THRBCNR1NPC1
SCHEMBL3553767 0.85 BTK (0.43) MCL1THRB
SCHEMBL5010265 0.85 ALDH1A1 (0.42) MCL1NPC1TP53TSHRRAB9A
SCHEMBL3560389 0.84 MCL1 (0.52) MCL1THRBNPC1RAB9ASMN1; SMN2
SCHEMBL3553532 0.83 MCL1 (0.43) MCL1THRBMAPT
SCHEMBL3102308 0.82 MCL1 (0.50) MCL1THRBCNR1NPC1RAB9A
SCHEMBL3556744 0.82 MCL1 (0.47) MCL1THRBNPC1RAB9ASMN1; SMN2
SCHEMBL13335840 0.81 GRIK1 (0.38) GRIK1CNR1NPC1RAB9ASMN1; SMN2

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 55/4885MAP4K4 962/4885GRIK1 4708/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 MCL1 57/4885MAP4K4 1061/4885GRIK1 4765/4885

“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.