SCHEMBL4379702

SCHEMBL4379702

CC(=O)N1CCN(C(=O)Cc2c(Br)c(O)cc(O)c2-c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
MAPK1 P28482 1/20 0.44
CTSK P43235 1/20 0.44
KMT2A Q03164 4/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 2/20 0.40
HRH3 Q9Y5N1 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD11B1 P28845 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL4386243 0.90 MAPK1 (0.44) EGFRTYMSLTA4HVDRSRC
SCHEMBL4384593 0.88 KMT2A (0.51) KMT2AHPGDALDH1A1MEN1HTT
SCHEMBL4386467 0.85 MAPT (0.55) EGFRTYMSLTA4HVDRSRC
SCHEMBL4384152 0.85 ALDH1A1 (0.58) MAPK1KMT2AHPGDALDH1A1MEN1
SCHEMBL4386854 0.83 TACR3 (0.52) KMT2AALDH1A1MEN1HRH3MAPT
SCHEMBL4380891 0.82 POLB (0.53) MAPK1KMT2AALDH1A1MEN1HTT
SCHEMBL4381538 0.82 CNR2 (0.38) MAPK1KMT2AHPGDALDH1A1MEN1
SCHEMBL4386601 0.81 ALDH1A1 (0.62) KMT2AHPGDALDH1A1GAAMAPT
SCHEMBL4394430 0.80 ALDH1A1 (0.46) KMT2AALDH1A1HTTGAAALOX12
SCHEMBL6025387 0.80 RAB9A (0.55) KMT2AHPGDALDH1A1MEN1GAA

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 EGFR 624/4885TYMS 4610/4885LTA4H 4672/4885

“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.