SCHEMBL4392819

SCHEMBL4392819

O=C(Cc1c(Br)c(O)cc(O)c1-c1ccccc1)NCc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
ERCC1 P07992 1/20 0.54
ERCC4 Q92889 1/20 0.54
HPGD P15428 3/20 0.53
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 3/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.47
EPHX1 P07099 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL4387272 0.89 ALDH1A1 (0.54) LMNAERCC1ERCC4HPGDALDH1A1
SCHEMBL4387534 0.88 ALDH1A1 (0.56) LMNAERCC1ERCC4HTTALDH1A1
SCHEMBL4383064 0.80 POLB (0.56) LMNAHPGDHTTSMN1; SMN2CYP1A2
SCHEMBL4390266 0.78 LMNA (0.53) LMNAHPGDHTTSMN1; SMN2CYP1A2
SCHEMBL4384011 0.78 ALDH1A1 (0.62) LMNAHPGDHTTALDH1A1KMT2A
SCHEMBL28497414 0.77 LMNA (0.86) LMNAERCC1ERCC4HPGDHTT
SCHEMBL30172092 0.77 LMNA (0.86) LMNAERCC1ERCC4HPGDHTT
SCHEMBL4389225 0.76 HPGD (0.43) HPGDSMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL4394879 0.76 HPGD (0.44) LMNAHPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL4388905 0.75 HPGD (0.37) LMNAHPGDHTTCYP2C19ALDH1A1

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 LMNA 4706/4885ERCC1 4193/4885ERCC4 4326/4885

“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.