SCHEMBL4380965

SCHEMBL4380965

COCOc1cc(OCOC)c(-c2ccccc2)c(C(=O)N(C)C)c1Br

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.42
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 2/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
TACR1 P25103 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
CAPN1 P07384 1/20 0.32
CLCN2 P51788 1/20 0.32

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
SCHEMBL4385854 0.87 EGFR (0.48) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL4380006 0.85 EGFR (0.46) EGFRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4383916 0.85 EGFR (0.43) EGFRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4381967 0.85 LMNA (0.44) EGFRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4388687 0.84 EGFR (0.43) EGFRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4396512 0.83 EGFR (0.42) EGFRKDM4ESMN1; SMN2LMNACAPN1
SCHEMBL4386978 0.81 EGFR (0.40) EGFRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4392011 0.79 EGFR (0.55) EGFRALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL4386648 0.79 EGFR (0.45) EGFRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4382088 0.78 EGFR (0.42) EGFRMEN1KMT2A

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 EGFR 624/4885KDM4E 3223/4885ALDH1A1 3520/4885

“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.