SCHEMBL4386243

SCHEMBL4386243

CN1CCN(C(=O)Cc2c(Br)c(O)cc(O)c2-c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
EGFR P00533 1/20 0.44
TYMS P04818 1/20 0.44
LTA4H P09960 1/20 0.44
VDR P11473 1/20 0.44
SRC P12931 1/20 0.44
CTSK P43235 1/20 0.44
POLB P06746 2/20 0.43
KMT2A Q03164 1/20 0.42
PTGS2 P35354 1/20 0.42
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 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
SCHEMBL4379702 0.90 EGFR (0.44) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL4384593 0.88 KMT2A (0.51) POLBKMT2ALMNAMAPTNPC1
SCHEMBL4386467 0.85 MAPT (0.55) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL4384152 0.85 ALDH1A1 (0.58) MAPK1KMT2ATSHRLMNAL3MBTL1
SCHEMBL6025387 0.82 RAB9A (0.55) KMT2ATSHRLMNAL3MBTL1KDM4E
SCHEMBL4380891 0.82 POLB (0.53) MAPK1POLBKMT2ATSHRLMNA
SCHEMBL4386601 0.81 ALDH1A1 (0.62) POLBKMT2ATP53TSHRLMNA
SCHEMBL4386854 0.81 TACR3 (0.52) POLBKMT2ATP53KDM4EMAPT
SCHEMBL4394430 0.80 ALDH1A1 (0.46) KMT2ATP53L3MBTL1TDP1MAPT
SCHEMBL4381538 0.79 CNR2 (0.38) MAPK1POLBKMT2ALMNAKDM4E

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 MAPK1 839/4885EGFR 624/4885TYMS 4610/4885

“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.