SCHEMBL3563528

SCHEMBL3563528

CC(=O)NCc1cccc(-c2ccc3c(C)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.42
KMT2A Q03164 1/20 0.39
VSIR Q9H7M9 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
SERPINE1 P05121 1/20 0.37
TP53 P04637 2/20 0.37
S1PR4 O95977 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 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
SCHEMBL3560339 0.94 MCL1 (0.46) MCL1KMT2ASMN1; SMN2SERPINE1TP53
SCHEMBL5011218 0.91 MCL1 (0.41) MCL1KMT2ASMN1; SMN2SERPINE1TP53
SCHEMBL5010329 0.90 SMN1; SMN2 (0.40) VSIRSMN1; SMN2AURKAAURKBLIPG
SCHEMBL5013982 0.89 SMN1; SMN2 (0.43) MCL1KMT2ASMN1; SMN2TSHR
SCHEMBL3551343 0.89 BTK (0.43) MCL1KMT2ASMN1; SMN2LIPGSERPINE1
SCHEMBL3559533 0.88 VSIR (0.37) VSIRSMN1; SMN2AURKAAURKBLIPG
SCHEMBL3100961 0.88 MCL1 (0.46) MCL1THRB
SCHEMBL3559001 0.87 MCL1 (0.41) MCL1KMT2ASMN1; SMN2AURKAAURKB
SCHEMBL3092625 0.87 NPC1 (0.43) KMT2AVSIRAURKAAURKBLIPG
SCHEMBL3109766 0.87 MCL1 (0.46) MCL1THRB

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 55/4885KMT2A 2335/4885VSIR 4822/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 MCL1 57/4885KMT2A 1762/4885VSIR 4696/4885

“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.