SCHEMBL4388531

SCHEMBL4388531

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR2 P34972 1/20 0.38
LTB4R Q15722 2/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4380801 0.87 KDM4E (0.38) LMNAMAPTCNR2LTB4RLTB4R2
SCHEMBL4384668 0.86 NR4A2 (0.39) NPSR1LMNAMAPTSMN1; SMN2TDP1
SCHEMBL4393895 0.85 LMNA (0.48) NPSR1LMNASMN1; SMN2HTTKMT2A
SCHEMBL4396687 0.82 PTGFR (0.46) LMNAMAPTTDP1KMT2AMEN1
SCHEMBL4381538 0.79 CNR2 (0.38) LMNAMAPTSMN1; SMN2CNR2HTT
SCHEMBL4380223 0.79 SMN1; SMN2 (0.42) LMNAMAPTSMN1; SMN2TDP1CNR2
SCHEMBL4394879 0.78 HPGD (0.44) NPSR1LMNASMN1; SMN2CNR2KMT2A
SCHEMBL4382263 0.77 MAPT (0.47) LMNAMAPTALDH1A1
SCHEMBL4388905 0.77 HPGD (0.37) LMNAMAPTCNR2HTTKMT2A
SCHEMBL4392444 0.76 PLA2G2A (0.41) MAPTCNR2HTTGAAALDH1A1

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 NPSR1 331/4885LMNA 4706/4885MAPT 2443/4885

“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.