SCHEMBL4384966

SCHEMBL4384966

CNCCc1c(Br)c(OCOC)cc(OCOC)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.35
TAAR1 Q96RJ0 5/20 0.34
ATM Q13315 2/20 0.34
HTR2A P28223 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.32
HTR1B P28222 2/20 0.32
HTR1D P28221 1/20 0.32
ADRB2 P07550 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL2864914 0.86 EGFR (0.37) EGFRKDM4EADRB2TDP1
SCHEMBL4383991 0.85 EGFR (0.39) EGFRTDP1
SCHEMBL4386891 0.85 EGFR (0.41) EGFRPOLBADRB2
SCHEMBL4386995 0.84 EGFR (0.36) EGFRTDP1
SCHEMBL4379783 0.84 EGFR (0.36) EGFRKDM4EADRB2TDP1
SCHEMBL4387418 0.83 EGFR (0.44) EGFRKDM4EADRB2TDP1
SCHEMBL4379902 0.83 EGFR (0.39) EGFRKDM4EPOLBTDP1
SCHEMBL4384793 0.82 EGFR (0.35) EGFRADRB2TDP1
SCHEMBL4379817 0.82 EGFR (0.40) EGFRKDM4EPOLBTDP1
SCHEMBL4390195 0.82 EGFR (0.40) EGFRKDM4ETDP1

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 624/4885TAAR1 1752/4885ATM 3555/4885

“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.