SCHEMBL385923

SCHEMBL385923

CCOCOc1ccc2cc(C#N)c(=O)oc2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 4/20 0.81
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
MAOB P27338 7/20 0.56
CA12 O43570 5/20 0.56
CA7 P43166 5/20 0.56
CA1 P00915 4/20 0.56
CA5B Q9Y2D0 4/20 0.56
CA4 P22748 4/20 0.56
CA2 P00918 4/20 0.56
CA5A P35218 3/20 0.56
MAOA P21397 1/20 0.56
KDM4E B2RXH2 3/20 0.55
MAPT P10636 2/20 0.55
CA9 Q16790 5/20 0.52
MIF P14174 1/20 0.52
CA6 P23280 4/20 0.47
CA14 Q9ULX7 4/20 0.47
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 3/20 0.45

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
SCHEMBL240958 0.90 GLA (1.00) GLAMEN1KMT2AMAOBCA12
SCHEMBL1104929 0.87 GLA (0.76) GLAMEN1KMT2AMAOBCA12
SCHEMBL1104935 0.86 GLA (0.67) GLAMEN1KMT2AMAOBCA12
SCHEMBL11149402 0.85 GLA (0.81) GLAMEN1KMT2AMAOBCA12
SCHEMBL385112 0.83 GLA (0.63) GLAMEN1KMT2AMAOBCA12
SCHEMBL11501433 0.82 GLA (0.77) GLAMEN1KMT2AMAOBCA12
SCHEMBL1094715 0.80 GLA (1.00) GLAMEN1KMT2AMAOBCA12
SCHEMBL1827383 0.78 GLA (0.69) GLAMEN1KMT2AMAOBCA12
SCHEMBL1093778 0.78 MAOB (0.72) GLAMEN1KMT2AMAOBCA12
SCHEMBL8834661 0.78 GLA (0.69) GLAMEN1KMT2AMAOBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240060949-A1 BIOSYSTEMS TO DETECT CHEMICAL CONTAMINANTS FUNDACION AZTI/AZTI FUNDAZIOA (ES) 2024-02-22 US claimed
EP-4271830-A1 BIOSYSTEMS TO DETECT CHEMICAL CONTAMINANTS Fundacion Azti/Azti Fundazioa (ES) 2023-11-08 EP claimed
WO-2022144095-A1 BIOSYSTEMS TO DETECT CHEMICAL CONTAMINANTS FUNDACION AZTI/AZTI FUNDAZIOA (ES) 2022-07-07 WO claimed
EP-1140888-B1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY VERTEX PHARMA SAN DIEGO LLC (US) 2003-05-14 EP claimed
US-6420130-B1 CHEMICAL COMPOUND FOR USE IN THE DETECTION OF PREFERENTIAL ENZYMATIC POLYPEPTIDE AURORA BIOSCIENCES CORPORATION 2002-07-16 US claimed
EP-4379062-A1 BIOSYSTEM FOR PESTICIDE DETECTION Fundación AZTI - AZTI Fundazioa (ES) 2024-06-05 EP disclosed
US-20240175069-A1 BIOSYSTEM FOR PESTICIDE DETECTION Fundación AZTI – AZTI Fundazioa (ES) 2024-05-30 US disclosed
US-20240060949-A1 BIOSYSTEMS TO DETECT CHEMICAL CONTAMINANTS FUNDACION AZTI/AZTI FUNDAZIOA (ES) 2024-02-22 US disclosed
EP-4271830-A1 BIOSYSTEMS TO DETECT CHEMICAL CONTAMINANTS Fundacion Azti/Azti Fundazioa (ES) 2023-11-08 EP disclosed
US-20230167482-A1 FUNCTIONAL CYTOCHROME P450 IN VITRO ASSAY PHARMGENETIX GMBH (AT) 2023-06-01 US disclosed
EP-4045675-A1 FUNCTIONAL CYTOCHROME P450 IN VITRO ASSAY Pharmgenetix GmbH (AT) 2022-08-24 EP disclosed
WO-2022144095-A1 BIOSYSTEMS TO DETECT CHEMICAL CONTAMINANTS FUNDACION AZTI/AZTI FUNDAZIOA (ES) 2022-07-07 WO disclosed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US disclosed
US-20100105095-A1 Optical Molecular Sensors for Cytochrome P450 Activity Life Technologies Corporation (US) 2010-04-29 US disclosed
US-20100105095-A1 Optical Molecular Sensors for Cytochrome P450 Activity Life Technologies Corporation (US) 2010-04-29 US disclosed
US-20100099728-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-04-22 US disclosed
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity INVITROGEN CORPORATION (US) 2008-05-29 US disclosed
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity INVITROGEN CORPORATION (US) 2008-05-29 US disclosed
US-20070072256-A1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY INVITROGEN CORPORATION 2007-03-29 US disclosed
US-20070072256-A1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY INVITROGEN CORPORATION 2007-03-29 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 (4 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-20100105095-A1 Optical Molecular Sensors for Cytochrome P450 Activity CYP2J2, CYP1A2, CYP2B6 GLA 3166/4885MEN1 4855/4885KMT2A 2421/4885
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity CYP2J2, CYP1A2, CYP2B6 GLA 3166/4885MEN1 4855/4885KMT2A 2421/4885
US-20100099728-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 GLA 2665/4885MEN1 2591/4885KMT2A 4265/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 GLA 2665/4885MEN1 2591/4885KMT2A 4265/4885

“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.