SCHEMBL17447452

SCHEMBL17447452

C=CC(=O)NCc1cc2cc(OC)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.59
MTNR1B P49286 2/20 0.59
LOXL2 Q9Y4K0 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 7/20 0.50
PDGFRB P09619 2/20 0.50
PDGFRA P16234 2/20 0.50
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
FLT3 P36888 2/20 0.45
HDAC6 Q9UBN7 2/20 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
SCHEMBL1381256 0.79 IDO1 (0.59) MTNR1AMTNR1BLOXL2KDM4EALDH1A1
SCHEMBL13936956 0.78 LOXL2 (0.61) MTNR1AMTNR1BLOXL2SMN1; SMN2KDM4E
SCHEMBL9515346 0.77 LOXL2 (0.67) MTNR1AMTNR1BLOXL2SMN1; SMN2KDM4E
SCHEMBL9679411 0.76 MTNR1A (0.64) MTNR1AMTNR1BLOXL2KDM4EPDGFRB
SCHEMBL8577495 0.76 LOXL2 (0.65) MTNR1AMTNR1BLOXL2SMN1; SMN2KDM4E
SCHEMBL28468935 0.74 MTNR1A (1.00) MTNR1AMTNR1BLOXL2KDM4EALDH1A1
SCHEMBL15224006 0.74 MTNR1A (0.65) MTNR1AMTNR1BLOXL2KDM4EPDGFRB
SCHEMBL29390774 0.74 LOXL2 (0.63) MTNR1AMTNR1BLOXL2KDM4EPDGFRB
SCHEMBL1331625 0.74 LOXL2 (0.63) MTNR1AMTNR1BLOXL2KDM4EPDGFRB
SCHEMBL14036520 0.74 LOXL2 (0.63) MTNR1AMTNR1BLOXL2SMN1; SMN2KDM4E

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 MTNR1A 2532/4885MTNR1B 2340/4885LOXL2 1555/4885
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 MTNR1A 1795/4885MTNR1B 1512/4885LOXL2 1085/4885
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 MTNR1A 2532/4885MTNR1B 2340/4885LOXL2 1555/4885

“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.