SCHEMBL18596302

SCHEMBL18596302

COC(=O)/C=C/CCNC(=O)c1c(C)n(C)c2ccc(OC)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.54
POLB P06746 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 3/20 0.54
GAA P10253 2/20 0.54
LMNA P02545 2/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 2/20 0.52
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL17438037 0.90 MAPT (0.57) MAPTPOLBSMN1; SMN2KDM4EGAA
SCHEMBL18596301 0.86 GAA (0.43) MAPTPOLBSMN1; SMN2KDM4EGAA
SCHEMBL17447380 0.83 MAPT (0.56) MAPTPOLBSMN1; SMN2KDM4EGAA
SCHEMBL17438052 0.82 MAPT (0.57) MAPTPOLBSMN1; SMN2KDM4EGAA
SCHEMBL17438050 0.82 MAPT (0.57) MAPTPOLBSMN1; SMN2KDM4EGAA
SCHEMBL17438095 0.81 MAPT (0.56) MAPTPOLBSMN1; SMN2KDM4EGAA
SCHEMBL17438153 0.78 MEN1 (0.56) MAPTPOLBSMN1; SMN2KDM4EGAA
SCHEMBL17438156 0.78 SPR (0.47) MAPTPOLBSMN1; SMN2KDM4EGAA
SCHEMBL17438024 0.78 MEN1 (0.67) MAPTPOLBSMN1; SMN2KDM4EGAA
SCHEMBL18910505 0.77 MAPT (0.52) MAPTPOLBSMN1; SMN2KDM4EGAA

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MAPT 3075/4885POLB 3357/4885SMN1; SMN2 4028/4885
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 MAPT 3075/4885POLB 3357/4885SMN1; SMN2 4028/4885

“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.