SCHEMBL17445824

SCHEMBL17445824

COC(=O)/C=C/CNC(=O)c1c2c(nn1C)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ GAA P10253 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP1A2 P05177 1/20 0.38
▸ NFE2L2 Q16236 2/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ BRD4 O60885 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL17324712 0.68 POLB (0.74) POLBMAPTTDP1L3MBTL1GAA
SCHEMBL4770442 0.68 POLB (1.00) POLBMAPTTDP1L3MBTL1GAA
SCHEMBL9637337 0.68 L3MBTL1 (0.49) POLBMAPTTDP1L3MBTL1MEN1
SCHEMBL19997308 0.68 POLB (0.68) POLBMAPTTDP1L3MBTL1GAA
SCHEMBL24405748 0.67 POLB (0.96) POLBMAPTTDP1L3MBTL1GAA
SCHEMBL16144859 0.67 MAPT (0.72) POLBMAPTTDP1L3MBTL1GAA
SCHEMBL5067149 0.67 POLB (0.72) POLBMAPTTDP1L3MBTL1GAA
SCHEMBL23062881 0.65 POLB (0.93) POLBMAPTTDP1L3MBTL1GAA
SCHEMBL24405744 0.65 POLB (0.68) POLBMAPTTDP1L3MBTL1GAA
SCHEMBL17321396 0.65 POLB (0.68) POLBMAPTTDP1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273208-B2 Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods NORTHWESTERN UNIVERSITY (US) 2019-04-30 — — US disclosed
US-20170152228-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NORTHWESTERN UNIVERSITY (US) 2017-06-01 — — US disclosed
US-20170152228-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NORTHWESTERN UNIVERSITY (US) 2017-06-01 — — US disclosed
US-9586890-B2 Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods NORTHWESTERN UNIVERSITY (US) 2017-03-07 — — US disclosed
US-9586890-B2 Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods NORTHWESTERN UNIVERSITY (US) 2017-03-07 — — US disclosed
US-20160016893-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NORTHWESTERN UNIVERSITY (US) 2016-01-21 — — US disclosed
US-20160016893-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NORTHWESTERN UNIVERSITY (US) 2016-01-21 — — 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 (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-20170152228-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NEDD4, STUB1, CUL1 POLB 3357/4885MAPT 3075/4885TDP1 2233/4885
US-20160016893-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NEDD4, STUB1, UBQLN1 POLB 3390/4885MAPT 1148/4885TDP1 1721/4885
US-10273208-B2 Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods NEDD4, STUB1, CUL1 POLB 3357/4885MAPT 3075/4885TDP1 2233/4885

“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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