SCHEMBL4383645

SCHEMBL4383645

COCOc1cc(OCOC)c(I)c(C(Br)C(=O)OC)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.32
BACE1 P56817 2/20 0.32
GRM5 P41594 2/20 0.31
HDAC8 Q9BY41 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL4381377 0.85 HDAC8 (0.33) CAPN1BACE1GRM5HDAC8HDAC3
SCHEMBL4385092 0.83 CAPN1 (0.31) CAPN1BACE1GRM5
SCHEMBL4389131 0.79 EGFR (0.40) CAPN1GRM5HDAC8HDAC3HDAC4
SCHEMBL2859159 0.77 NPC1 (0.40) CAPN1BACE1HDAC8
SCHEMBL4389167 0.76 GRM5 (0.35) BACE1GRM5
SCHEMBL4379685 0.76 L3MBTL1 (0.37) CAPN1HDAC8HDAC3HDAC4HDAC1
SCHEMBL4384171 0.73 ALDH1A1 (0.35) BACE1HDAC8HDAC3HDAC4HDAC1
SCHEMBL4390433 0.73 CAPN1 (0.33) CAPN1BACE1GRM5HDAC8
SCHEMBL4381644 0.73 HDAC8 (0.32) CAPN1BACE1GRM5HDAC8
SCHEMBL23362701 0.72 PKM (0.38) CAPN1BACE1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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 (1 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P CAPN1 1225/4885BACE1 3031/4885GRM5 3023/4885

“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.