SCHEMBL4380690

SCHEMBL4380690

COCNC(=O)Cc1c(Br)c(OCOC)cc(OCOC)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
CAPN1 P07384 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
MEN1 O00255 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PLA2G2A P14555 1/20 0.33
CLCN2 P51788 1/20 0.33
RIOK2 Q9BVS4 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4385121 0.89 EGFR (0.49) EGFRKMT2APOLBCAPN1SMN1; SMN2
SCHEMBL4396326 0.89 KDM4E (0.48) EGFRKMT2APOLBCYP2C19ALDH1A1
SCHEMBL4377954 0.89 SMN1; SMN2 (0.44) EGFRKMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL4379975 0.88 EGFR (0.41) EGFRKMT2ACAPN1SMN1; SMN2CYP2C19
SCHEMBL4394925 0.88 HPGD (0.40) EGFRCAPN1SMN1; SMN2ALDH1A1
SCHEMBL4381625 0.88 CD274 (0.43) EGFRKMT2APOLBCAPN1L3MBTL1
SCHEMBL4389125 0.87 EGFR (0.42) EGFRKMT2ACAPN1SMN1; SMN2CYP2C19
SCHEMBL4385950 0.87 EGFR (0.43) EGFRKMT2APOLBCAPN1SMN1; SMN2
SCHEMBL4389093 0.86 KDM4E (0.42) EGFRKMT2APOLBSMN1; SMN2CYP2C19
SCHEMBL4387376 0.86 EGFR (0.43) EGFRKMT2ACAPN1CYP2C19ALDH1A1

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 624/4885KMT2A 3994/4885POLB 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.