SCHEMBL17447380

SCHEMBL17447380

CCOC(=O)/C=C/CNC(=O)c1c(C)n(C)c2ccc(OC)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
POLB P06746 3/20 0.55
GAA P10253 2/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 2/20 0.55
PKM P14618 1/20 0.55
ALDH1A1 P00352 3/20 0.52
NPC1 O15118 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 2/20 0.47
ATM Q13315 1/20 0.46
MAPK1 P28482 2/20 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 0.93 MAPT (0.57) MAPTLMNASMN1; SMN2POLBGAA
SCHEMBL17438052 0.89 MAPT (0.57) MAPTLMNASMN1; SMN2POLBGAA
SCHEMBL17438050 0.89 MAPT (0.57) MAPTLMNASMN1; SMN2POLBGAA
SCHEMBL17438095 0.88 MAPT (0.56) MAPTLMNASMN1; SMN2POLBGAA
SCHEMBL18596302 0.83 MAPT (0.54) MAPTLMNASMN1; SMN2POLBGAA
SCHEMBL18910505 0.83 MAPT (0.52) MAPTLMNASMN1; SMN2POLBGAA
SCHEMBL17438153 0.83 MEN1 (0.56) MAPTLMNASMN1; SMN2POLBGAA
SCHEMBL17438024 0.82 MEN1 (0.67) MAPTLMNASMN1; SMN2POLBGAA
SCHEMBL17438156 0.81 SPR (0.47) MAPTLMNASMN1; SMN2POLBGAA
SCHEMBL17438041 0.79 MAPT (0.55) MAPTLMNASMN1; SMN2POLBGAA

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 4 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
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 MAPT 3075/4885LMNA 4732/4885SMN1; SMN2 4028/4885
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 MAPT 1148/4885LMNA 3429/4885SMN1; SMN2 2107/4885
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 3075/4885LMNA 4732/4885SMN1; 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.