SCHEMBL2525303

SCHEMBL2525303

C#CCCOCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
NAAA Q02083 2/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.41
LTA4H P09960 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AGXT P21549 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL23567237 0.90 TSHR (0.50) TSHRNAAAMEN1KMT2AIDO1
SCHEMBL1603273 0.88 TSHR (0.52) TSHRNAAAIDO1LTA4HTDP1
SCHEMBL3376445 0.86 TSHR (0.50) TSHRNAAALTA4HTDP1L3MBTL1
SCHEMBL19608820 0.85 L3MBTL1 (0.50) TSHRNAAATDP1L3MBTL1HRH4
SCHEMBL1422059 0.85 L3MBTL1 (0.50) TSHRNAAATDP1L3MBTL1HRH4
SCHEMBL23014897 0.85 L3MBTL1 (0.50) TSHRNAAATDP1L3MBTL1HRH4
SCHEMBL1421766 0.85 L3MBTL1 (0.50) TSHRNAAATDP1L3MBTL1HRH4
SCHEMBL3821073 0.82 TSHR (0.54) TSHRNAAAIDO1LTA4HTDP1
SCHEMBL20423790 0.80 NAAA (0.53) TSHRNAAAIDO1LTA4HTDP1
SCHEMBL23567268 0.80 TSHR (0.47) TSHRNAAAIDO1TDP1L3MBTL1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022036040-A1 SYNTHESIS OF SMALL MOLECULES INSPIRED BY PHOMOXANTHONE A WORCESTER POLYTECHNIC INSTITUTE (US) 2022-02-17 WO disclosed
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 US disclosed
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 US disclosed
CN-109563082-B Nuclear magnetic resonance imaging compound, intermediate thereof, nuclear magnetic resonance imaging agent and application thereof, and nuclear magnetic resonance imaging method 北京市神经外科研究所 2021-03-30 CN disclosed
EP-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 EP disclosed
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2020-05-12 US disclosed
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2020-05-12 US disclosed
EP-3541805-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS Amgen Inc. (US) 2019-09-25 EP disclosed
EP-3415519-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. Hoffmann-La Roche AG (CH) 2018-12-19 EP disclosed
US-20180244694-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-08-30 US disclosed
US-20110251178-A1 Bicyclic Pyridinylpyrazoles BAYER CROPSCIENCE AG (DE) 2011-10-13 US disclosed
WO-2008149053-A1 BICYCL0 [2. 2. 1] HE PT- 2-YLAMINE DERIVATES AND THEIR USE ARGENTA DISCOVERY LTD. (GB) 2008-12-11 WO disclosed
US-7125999-B2 Process for producing organotitanium compound and process for addition reaction NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2006-10-24 US disclosed
US-20040167344-A1 Process for producing organotitanium compound and process for addition reaction FUMIE SATO 2004-08-26 US disclosed
US-6743916-B2 REACTING AN ACETYLENE COMPOUND IN THE PRESENCE OF A TITANIUM COMPOUND AND GRIGNARD REAGENT TO OBTAIN ORGANOTITANIUM COMPOUND Sato, Fumie (JP) 2004-06-01 US disclosed
US-6630484-B1 6-and 7-substituted analogs of swainsonine their preparation and therapeutic use THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2003-10-07 US disclosed
US-20030096996-A1 Process for producing organotitanium compound and process for addition reaction NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-22 US disclosed
EP-0934317-A2 NOVEL 6 OR 7 SUBSTITUTED ANALOGUES OF SWAINSONINE, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS THERAPEUTIC AGENTS Glycodesign Inc. (CA) 1999-08-11 EP disclosed
WO-1998014445-A2 NOVEL 6 OR 7 SUBSTITUTED ANALOGUES OF SWAINSONINE, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS THERAPEUTIC AGENTS GLYCODESIGN INC. (CA) 1998-04-09 WO disclosed
US-4477673-A Process for the preparation of substituted divinylpyridines and novel substituted divinylpyridines CIBA-GEIGY CORPORATION (US) 1984-10-16 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 (6 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-20040167344-A1 Process for producing organotitanium compound and process for addition reaction ZYX, H1-4, GRIA4 TSHR 465/4885NAAA 3633/4885MEN1 1460/4885
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof TPMT, THPO, CYP11B2 TSHR 614/4885NAAA 3795/4885MEN1 1268/4885
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AGTR1, AGTR2, TBXA2R TSHR 254/4885NAAA 3557/4885MEN1 4391/4885
US-20110251178-A1 Bicyclic Pyridinylpyrazoles PLPBP, PNPO, PIR TSHR 3280/4885NAAA 883/4885MEN1 1343/4885
US-20180244694-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF TPMT, THPO, CYP11B2 TSHR 614/4885NAAA 3795/4885MEN1 1268/4885
US-20030096996-A1 Process for producing organotitanium compound and process for addition reaction ZYX, H1-4, GRIA4 TSHR 465/4885NAAA 3633/4885MEN1 1460/4885

“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.