SCHEMBL16506980

SCHEMBL16506980

COCOc1cc(OCc2ccccc2)ccc1C1CC=CCC1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.39
▸ MAOA P21397 3/20 0.39
▸ TLR4 O00206 2/20 0.39
▸ TLR2 O60603 2/20 0.39
▸ ALOX5 P09917 1/20 0.37
▸ CA2 P00918 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CTSV O60911 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ FFAR1 O14842 1/20 0.35

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
SCHEMBL16520421 0.81 ALDH1A1 (0.34) MEN1KMT2AMAPT
SCHEMBL15176174 0.78 MAOB (0.41) MAOBMEN1KMT2AFFAR1
SCHEMBL15173719 0.70 MAOA (0.57) MAOBMAOATLR4TLR2MAPT
SCHEMBL16508018 0.70 MAOA (0.57) MAOBMAOATLR4TLR2MAPT
SCHEMBL6035928 0.69 MAOB (0.49) MAOBMAOAALOX5FFAR1
SCHEMBL6035769 0.69 MAOB (0.51) MAOBMAOAALOX5MEN1KMT2A
SCHEMBL22181455 0.68 ABCB1 (0.44) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL17386359 0.68 MAOB (0.50) MAOBMAOAALOX5MAPT
SCHEMBL16097608 0.68 MAOB (0.50) MAOBMAOAALOX5MEN1KMT2A
SCHEMBL22181587 0.68 KDM1A (0.49) MAOBMAOAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417419-A1 C-TERMINAL HSP90 INHIBITORS UNIV KANSAS (US) 2024-12-19 — — US disclosed
EP-4403552-A2 C-TERMINAL HSP90-INHIBITORS The University of Kansas (US) 2024-07-24 — — EP disclosed
US-12024536-B2 C-terminal HSP90 inhibitors UNIVERSITY OF KANSAS (US) 2024-07-02 — — US disclosed
US-20230102047-A1 C-TERMINAL HSP90 INHIBITORS REATA PHARMACEUTICALS, INC. 2023-03-30 — — US disclosed
US-11390640-B2 C-terminal Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2022-07-19 — — US disclosed
US-20210188891-A1 C-TERMINAL HSP90 INHIBITORS REATA PHARMACEUTICALS, INC. 2021-06-24 — — US disclosed
US-10882881-B2 C-terminal Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2021-01-05 — — US disclosed
US-20200283465-A1 C-TERMINAL HSP90 INHIBITORS REATA PHARMACEUTICALS, INC. 2020-09-10 — — US disclosed
EP-3656758-A1 INTERMEDIATES FOR THE PREPARATION OF C-TERMINAL HSP90 INHIBITORS The University of Kansas (US) 2020-05-27 — — EP disclosed
US-10590157-B2 C-terminal HSP90 inhibitors UNIVERSITY OF KANSAS (US) 2020-03-17 — — US disclosed
EP-2812341-B1 C-TERMINAL HSP90 INHIBITORS UNIV KANSAS (US) 2019-08-28 — — EP disclosed
US-20190023730-A1 C-TERMINAL HSP90 INHIBITORS REATA PHARMACEUTICALS, INC. 2019-01-24 — — US disclosed
US-10030041-B2 C-terminal Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2018-07-24 — — US disclosed
US-20170051000-A1 C-TERMINAL HSP90 INHIBITORS REATA PHARMACEUTICALS, INC. 2017-02-23 — — US disclosed
US-9422320-B2 C-terminal HSP90 inhibitors UNIVERSITY OF KANSAS (US) 2016-08-23 — — US disclosed
US-20150057240-A1 C-TERMINAL HSP90 INHIBITORS REATA PHARMACEUTICALS, INC. 2015-02-26 — — US 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 (12 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-10882881-B2 C-terminal Hsp90 inhibitors HSP90AB2P, HSP90AB1, HSP90B1 MAOB 4134/4885MAOA 4412/4885TLR4 3801/4885
US-11390640-B2 C-terminal Hsp90 inhibitors HSP90AB2P, HSP90AB1, HSP90B1 MAOB 4134/4885MAOA 4412/4885TLR4 3801/4885
US-20230102047-A1 C-TERMINAL HSP90 INHIBITORS HSP90AB2P, HSP90AB1, HSP90B1 MAOB 4134/4885MAOA 4412/4885TLR4 3801/4885
US-10590157-B2 C-terminal HSP90 inhibitors HSP90AB2P, HSP90AB1, HSP90B1 MAOB 4134/4885MAOA 4412/4885TLR4 3801/4885
US-20240417419-A1 C-TERMINAL HSP90 INHIBITORS HSP90AB2P, HSP90AB1, HSP90B1 MAOB 4134/4885MAOA 4412/4885TLR4 3801/4885
US-10030041-B2 C-terminal Hsp90 inhibitors HSP90AB2P, HSP90AB1, HSP90B1 MAOB 4134/4885MAOA 4412/4885TLR4 3801/4885
US-20150057240-A1 C-TERMINAL HSP90 INHIBITORS HSP90AB2P, HSP90AB1, HSP90B1 MAOB 4134/4885MAOA 4412/4885TLR4 3801/4885
US-12024536-B2 C-terminal HSP90 inhibitors HSP90AB2P, HSP90AB1, HSP90B1 MAOB 4134/4885MAOA 4412/4885TLR4 3801/4885
US-20210188891-A1 C-TERMINAL HSP90 INHIBITORS HSP90AB2P, HSP90AB1, HSP90B1 MAOB 4134/4885MAOA 4412/4885TLR4 3801/4885
US-20170051000-A1 C-TERMINAL HSP90 INHIBITORS HSP90AB2P, HSP90AB1, HSP90B1 MAOB 4134/4885MAOA 4412/4885TLR4 3801/4885
US-20190023730-A1 C-TERMINAL HSP90 INHIBITORS HSP90AB2P, HSP90AB1, HSP90B1 MAOB 4134/4885MAOA 4412/4885TLR4 3801/4885
US-20200283465-A1 C-TERMINAL HSP90 INHIBITORS HSP90AB2P, HSP90AB1, HSP90B1 MAOB 4134/4885MAOA 4412/4885TLR4 3801/4885

“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.

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