SCHEMBL4378161

SCHEMBL4378161

COc1cc(NC(=O)Cc2c(Br)c(O)cc(O)c2-c2ccco2)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.49
EIF4H Q15056 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
PKM P14618 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 2/20 0.41
LMNA P02545 3/20 0.41

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
SCHEMBL4394076 0.82 ALDH1A1 (0.42) POLBL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL4385713 0.81 POLB (0.46) POLBEIF4HL3MBTL1KMT2AMEN1
SCHEMBL4396312 0.77 ALDH1A1 (0.46) POLBL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL4387465 0.73 SMN1; SMN2 (0.41) POLBL3MBTL1KMT2AMEN1TSHR
SCHEMBL4382842 0.73 MEN1 (0.35) POLBL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL4393970 0.71 ALDH1A1 (0.42) POLBEIF4HL3MBTL1KMT2AMEN1
SCHEMBL6171858 0.66 L3MBTL1 (1.00) POLBL3MBTL1KMT2AMEN1TSHR
SCHEMBL6171606 0.65 L3MBTL1 (0.80) POLBL3MBTL1KMT2AMEN1TSHR
SCHEMBL24498940 0.64 KMT2A (0.71) POLBL3MBTL1KMT2AMEN1TSHR
SCHEMBL4384857 0.63 EGFR (0.42) POLBL3MBTL1KMT2AMEN1ALDH1A1

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 POLB 3913/4885EIF4H 995/4885L3MBTL1 3218/4885

“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.