SCHEMBL14857065

SCHEMBL14857065

C=C(C)c1cc(C(=O)N2Cc3ccc(C=O)cc3C2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.41
TMEM97 Q5BJF2 4/20 0.40
SIGMAR1 Q99720 4/20 0.40
HRH1 P35367 3/20 0.40
HRH3 Q9Y5N1 3/20 0.40
ADRB1 P08588 1/20 0.40
HSP90AA1 P07900 3/20 0.39
HDAC1 Q13547 1/20 0.38
APP P05067 3/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
HRH2 P25021 2/20 0.38
HTR2C P28335 2/20 0.38
HTR1E P28566 2/20 0.38
HTR1A P08908 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 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
SCHEMBL15000765 0.94 TMEM97 (0.38) SLC6A9TMEM97SIGMAR1HRH1HRH3
SCHEMBL14991248 0.89 SLC6A9 (0.41) SLC6A9TMEM97SIGMAR1HRH1HRH3
SCHEMBL383835 0.86 SLC6A9 (0.42) SLC6A9TMEM97SIGMAR1HRH1HRH3
SCHEMBL14991810 0.86 SLC6A9 (0.41) SLC6A9TMEM97SIGMAR1HRH1HRH3
SCHEMBL31551061 0.86 HSP90AB1 (0.48) HSP90AA1HDAC1HSP90B1HSP90AB1
SCHEMBL384752 0.86 HSP90AB1 (0.48) HSP90AA1HDAC1HSP90B1HSP90AB1
SCHEMBL14991809 0.85 SLC6A9 (0.41) SLC6A9TMEM97SIGMAR1HRH1HRH3
SCHEMBL14857063 0.85 APP (0.38) SLC6A9TMEM97SIGMAR1HRH1HRH3
SCHEMBL15004543 0.85 TRAP1 (0.37) SLC6A9HSP90AA1HDAC1KDM4EALDH1A1
SCHEMBL14857414 0.85 SLC6A9 (0.41) SLC6A9TMEM97SIGMAR1HRH1HRH3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580193-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD (GB) 2016-07-20 EP disclosed
US-20160193200-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD. (GB) 2016-07-07 US disclosed
US-9321718-B2 Benzamide derivatives and their use as HSP90 inhibtors CHROMA THERAPEUTICS LTD. (GB) 2016-04-26 US disclosed
US-20130143926-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD. (GB) 2013-06-06 US disclosed
EP-2580193-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS Chroma Therapeutics Ltd. (GB) 2013-04-17 EP disclosed
WO-2011154708-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD (GB) 2011-12-15 WO 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 (2 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-20160193200-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS HSP90AB1, HSP90AA1, HSP90AB2P SLC6A9 2750/4885TMEM97 1041/4885SIGMAR1 2063/4885
US-20130143926-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS HSP90AB1, HSP90AA1, HSP90AB2P SLC6A9 2750/4885TMEM97 1041/4885SIGMAR1 2063/4885

“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.