SCHEMBL4387534

SCHEMBL4387534

O=C(Cc1c(Br)c(O)cc(O)c1-c1ccccc1)NCc1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 1/20 0.56
MMP13 P45452 1/20 0.47
HDAC1 Q13547 1/20 0.45
LMNA P02545 3/20 0.45
EPHX1 P07099 1/20 0.45
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 2/20 0.44
RPS6KA5 O75582 1/20 0.44
MAP4K4 O95819 1/20 0.44
PRKCG P05129 1/20 0.44
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
MAPK1 P28482 1/20 0.44
AKT1 P31749 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
PRKX P51817 1/20 0.44
PRKCD Q05655 1/20 0.44

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 0.92 ALDH1A1 (0.54) ALDH1A1GAAMAPTHDAC1LMNA
SCHEMBL4392819 0.88 LMNA (0.61) ALDH1A1GAAMAPTHDAC1LMNA
SCHEMBL4383064 0.83 POLB (0.56) ALDH1A1MAPTLMNAMAPK1L3MBTL1
SCHEMBL4389225 0.78 HPGD (0.43) ALDH1A1GAAMAPT
SCHEMBL4394879 0.78 HPGD (0.44) ALDH1A1GAALMNAL3MBTL1CA1
SCHEMBL4388905 0.77 HPGD (0.37) ALDH1A1MAPTHDAC1LMNAMAPK1
SCHEMBL4390425 0.77 MTNR1A (0.41) LMNAL3MBTL1
SCHEMBL4381581 0.77 MAPT (0.48) ALDH1A1GAAMAPTMMP13HDAC1
SCHEMBL4380223 0.77 SMN1; SMN2 (0.42) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL4382263 0.75 MAPT (0.47) ALDH1A1MAPTHDAC1LMNACA1

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 ALDH1A1 3520/4885GAA 3950/4885MAPT 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.