SCHEMBL17447381

SCHEMBL17447381

COC(=O)/C=C/CNC(=O)c1c[nH]c2cc(OC)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
TUBB1 Q9H4B7 2/20 0.52
NPC1 O15118 2/20 0.52
MEN1 O00255 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
ROCK2 O75116 3/20 0.49
ROCK1 Q13464 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
HTR4 Q13639 2/20 0.47
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47

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
SCHEMBL17438030 0.91 NR4A2 (0.58) MAPTMEN1RAB9AKMT2ADRD2
SCHEMBL17447402 0.80 MTNR1A (0.50) MAPTDRD2DRD3ROCK2ROCK1
SCHEMBL17447404 0.80 TRPV1 (0.48) MAPTMEN1RAB9AKMT2ADRD2
SCHEMBL18910657 0.79 TUBB1 (0.50) MAPTTUBB1NPC1MEN1RAB9A
SCHEMBL17445857 0.79 NHERF1 (0.55) DRD2DRD3ROCK2LMNAKDM4E
SCHEMBL17447392 0.78 KDM4E (0.43) MAPTDRD2DRD3ROCK2ROCK1
SCHEMBL31501108 0.75 NR4A2 (0.78) MAPTTUBB1NPC1MEN1KMT2A
SCHEMBL4236223 0.75 NR4A2 (0.78) MAPTTUBB1NPC1MEN1KMT2A
SCHEMBL30075344 0.74 MAPT (0.73) MAPTTUBB1NPC1MEN1RAB9A
SCHEMBL590922 0.74 MAPT (0.73) MAPTTUBB1NPC1MEN1RAB9A

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 3075/4885TUBB1 1303/4885NPC1 1703/4885
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 1148/4885TUBB1 1670/4885NPC1 376/4885
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 3075/4885TUBB1 1303/4885NPC1 1703/4885

“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.