SCHEMBL14857063

SCHEMBL14857063

C=C(C)c1ccc(OCc2ccccc2)c(C(=O)N2Cc3ccc(C=O)cc3C2)c1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.38
HRH1 P35367 2/20 0.38
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
ADRB1 P08588 1/20 0.38
SLC6A9 P48067 1/20 0.37
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL14857065 0.85 SLC6A9 (0.41) APPHRH1TMEM97SIGMAR1HRH3
SCHEMBL15000765 0.83 TMEM97 (0.38) APPHRH1TMEM97SIGMAR1HRH3
SCHEMBL384752 0.75 HSP90AB1 (0.48) HDAC1GLRA1HSP90AA1
SCHEMBL31551061 0.75 HSP90AB1 (0.48) HDAC1GLRA1HSP90AA1
SCHEMBL14991248 0.74 SLC6A9 (0.41) HRH1TMEM97SIGMAR1HRH3ADRB1
SCHEMBL14991810 0.72 SLC6A9 (0.41) HRH1TMEM97SIGMAR1HRH3ADRB1
SCHEMBL15000768 0.72 TMEM97 (0.38) HRH1TMEM97SIGMAR1HRH3ADRB1
SCHEMBL383835 0.72 SLC6A9 (0.42) HRH1TMEM97SIGMAR1HRH3ADRB1
SCHEMBL30156818 0.71 PTPN1 (0.40) SLC6A9KDM4EALDH1A1MEN1HPGD
SCHEMBL14991809 0.71 SLC6A9 (0.41) HRH1TMEM97SIGMAR1HRH3ADRB1

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 APP 1641/4885HRH1 364/4885TMEM97 1041/4885
US-20130143926-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS HSP90AB1, HSP90AA1, HSP90AB2P APP 1641/4885HRH1 364/4885TMEM97 1041/4885

“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.