SCHEMBL4392011

SCHEMBL4392011

COCOc1cc(OCOC)c(-c2ccccc2)c(C(=O)NCc2ccccc2)c1Br

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 3/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CAPN1 P07384 2/20 0.43
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.41
HPGDS O60760 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40

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
SCHEMBL4396512 0.86 EGFR (0.42) EGFRL3MBTL1TP53LMNASMN1; SMN2
SCHEMBL4381967 0.83 LMNA (0.44) EGFRHPGDTP53ALDH1A1LMNA
SCHEMBL4385121 0.83 EGFR (0.49) EGFRL3MBTL1HPGDTP53GLA
SCHEMBL4385854 0.83 EGFR (0.48) EGFRHPGDTP53ALDH1A1LMNA
SCHEMBL4383916 0.81 EGFR (0.43) EGFRHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL4380006 0.81 EGFR (0.46) EGFRL3MBTL1HPGDALDH1A1LMNA
SCHEMBL4388687 0.80 EGFR (0.43) EGFRL3MBTL1HPGDTP53ALDH1A1
SCHEMBL4380965 0.79 EGFR (0.42) EGFRHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL4381581 0.77 MAPT (0.48) EGFRL3MBTL1ALDH1A1SMN1; SMN2CAPN1
SCHEMBL4389125 0.77 EGFR (0.42) EGFRHPGDALDH1A1SMN1; SMN2CAPN1

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 624/4885L3MBTL1 3218/4885HPGD 3238/4885

“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.