SCHEMBL4381625

SCHEMBL4381625

COCOc1cc(OCOC)c(-c2ccccc2)c(CC(=O)NCCNC(C)=O)c1Br

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 8/20 0.43
PDCD1 Q15116 6/20 0.41
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
EGFR P00533 2/20 0.38
MTNR1A P48039 4/20 0.38
MTNR1B P49286 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CAPN1 P07384 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
SCHEMBL4396326 0.90 KDM4E (0.48) POLBKMT2AEGFRL3MBTL1KDM4E
SCHEMBL4377954 0.90 SMN1; SMN2 (0.44) POLBKMT2AEGFRL3MBTL1KDM4E
SCHEMBL4380690 0.88 EGFR (0.40) CD274POLBKMT2AEGFRL3MBTL1
SCHEMBL4389093 0.88 KDM4E (0.42) POLBKMT2AEGFRL3MBTL1KDM4E
SCHEMBL4385121 0.86 EGFR (0.49) POLBKMT2AEGFRL3MBTL1GLA
SCHEMBL4379975 0.85 EGFR (0.41) CD274KMT2AEGFRCAPN1
SCHEMBL4387376 0.85 EGFR (0.43) CD274KMT2AEGFRMTNR1AMTNR1B
SCHEMBL4394925 0.85 HPGD (0.40) EGFRCAPN1
SCHEMBL4389125 0.84 EGFR (0.42) KMT2AEGFRKDM4ECAPN1
SCHEMBL4385950 0.84 EGFR (0.43) POLBKMT2AEGFRKDM4ECAPN1

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 CD274 2969/4885PDCD1 2034/4885POLB 3913/4885

“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.