SCHEMBL1444565

SCHEMBL1444565

COc1cccc(C(O)C[N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
CHRM3 P20309 1/20 0.57
AOC3 Q16853 2/20 0.56
CNR1 P21554 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
BLM P54132 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
GRIN2B Q13224 2/20 0.43
FBP1 P09467 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
PPARG P37231 2/20 0.41

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
SCHEMBL27794445 1.00 L3MBTL1 (0.58) L3MBTL1CHRM2CHRM1CHRM3AOC3
SCHEMBL15074872 0.86 L3MBTL1 (0.44) L3MBTL1CHRM2CHRM1CHRM3AOC3
SCHEMBL23549437 0.84 ALDH1A1 (0.49) L3MBTL1CHRM2CHRM1CHRM3AOC3
SCHEMBL17466751 0.83 CNR1 (0.52) L3MBTL1CHRM2CHRM1CHRM3AOC3
SCHEMBL3696478 0.83 CNR1 (0.52) L3MBTL1CHRM2CHRM1CHRM3AOC3
SCHEMBL18053751 0.83 KMT2A (0.47) L3MBTL1CHRM2CHRM1CHRM3KMT2A
SCHEMBL18053735 0.83 KMT2A (0.47) L3MBTL1CHRM2CHRM1CHRM3KMT2A
SCHEMBL15055220 0.82 ALDH1A1 (0.45) L3MBTL1CHRM2CHRM1CHRM3AOC3
SCHEMBL17828391 0.82 L3MBTL1 (0.43) L3MBTL1CHRM2CHRM1CHRM3AOC3
SCHEMBL17828385 0.82 L3MBTL1 (0.43) L3MBTL1CHRM2CHRM1CHRM3AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104592257-A Copper-nitrogen complex UNIV HEFEI TECHNOLOGY 2015-05-06 CN disclosed
CN-103285924-B Application of chiral copper complex LUO MEI 2015-02-04 CN disclosed
CN-103450229-A Application of chiral copper complex LUO MEI 2013-12-18 CN disclosed
EP-2099794-B1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-05-15 EP disclosed
EP-2099794-B1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-05-15 EP disclosed
US-8148400-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-8148400-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-7999090-B2 reporter system reflecting the transport process that transports GPI-anchored proteins to the cell wall was constructed and compounds inhibiting this process were discovered; antifungal agents; inhibiting expression of cell wall glycoproteins and preventing pathogens from showing pathogenicity; DNA EISAI CO., LTD (JP) 2011-08-16 US disclosed
US-7999090-B2 reporter system reflecting the transport process that transports GPI-anchored proteins to the cell wall was constructed and compounds inhibiting this process were discovered; antifungal agents; inhibiting expression of cell wall glycoproteins and preventing pathogens from showing pathogenicity; DNA EISAI CO., LTD (JP) 2011-08-16 US disclosed
US-7999090-B2 reporter system reflecting the transport process that transports GPI-anchored proteins to the cell wall was constructed and compounds inhibiting this process were discovered; antifungal agents; inhibiting expression of cell wall glycoproteins and preventing pathogens from showing pathogenicity; DNA EISAI CO., LTD (JP) 2011-08-16 US disclosed
US-20080166765-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT, LTD. (JP) 2008-07-10 US disclosed
WO-2008079873-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 WO disclosed
WO-2008079873-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 WO disclosed
US-7375204-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-20 US disclosed
US-7375204-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-20 US disclosed
US-7375204-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-20 US disclosed
US-20060234283-A1 Fungal cell wall synthesis gene EISAI CO., LTD. (JP) 2006-10-19 US disclosed
US-20060234349-A1 Fungal cell wall synthesis gene EISAI CO., LTD. (JP) 2006-10-19 US disclosed
US-20040038239-A1 Fungal cell wall synthesis gene EISAI CO., LTD. (JP) 2004-02-26 US disclosed
EP-1300464-A1 FUNGAL CELL WALL SYNTHESIS GENE Eisai Co., Ltd. (JP) 2003-04-09 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 (3 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-20040038239-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 L3MBTL1 2189/4885CHRM2 4796/4885CHRM1 4779/4885
US-20080166765-A1 FUNGAL CELL WALL SYNTHESIS GENE ERG28, GPI, DPM1 L3MBTL1 2124/4885CHRM2 4780/4885CHRM1 4765/4885
US-20060234349-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 L3MBTL1 2189/4885CHRM2 4796/4885CHRM1 4779/4885

“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.