SCHEMBL4394430

SCHEMBL4394430

N#Cc1ccccc1N1CCN(C(=O)Cc2c(Br)c(O)cc(O)c2-c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
DPP4 P27487 1/20 0.44
THRB P10828 1/20 0.43
AR P10275 1/20 0.43
DRD4 P21917 2/20 0.42
DRD2 P14416 1/20 0.42
GRM5 P41594 1/20 0.42
HTR1A P08908 2/20 0.42
HTR1D P28221 2/20 0.42
HTR1B P28222 1/20 0.42
TP53 P04637 1/20 0.41
TACR3 P29371 1/20 0.40
MTOR P42345 1/20 0.40
RPTOR Q8N122 1/20 0.40
MLST8 Q9BVC4 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4382807 0.87 KDM4E (0.55) ALDH1A1DRD4DRD2TDP1KMT2A
SCHEMBL4380891 0.83 POLB (0.53) ALDH1A1HTTTDP1L3MBTL1MAPT
SCHEMBL4379702 0.80 EGFR (0.44) ALDH1A1GAAALOX12HTTMAPT
SCHEMBL4386243 0.80 MAPK1 (0.44) TP53TDP1L3MBTL1MAPTRAB9A
SCHEMBL4384593 0.80 KMT2A (0.51) ALDH1A1GAAALOX12HTTMAPT
SCHEMBL4386467 0.78 MAPT (0.55) ALDH1A1HTTL3MBTL1MAPTRAB9A
SCHEMBL4384152 0.78 ALDH1A1 (0.58) ALDH1A1HTTL3MBTL1KMT2A
SCHEMBL4386601 0.74 ALDH1A1 (0.62) ALDH1A1GAATP53TDP1L3MBTL1
SCHEMBL4386854 0.74 TACR3 (0.52) ALDH1A1TP53TACR3MAPTRAB9A
SCHEMBL6025387 0.73 RAB9A (0.55) ALDH1A1GAATDP1L3MBTL1MAPT

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 3950/4885ALOX12 4838/4885

“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.