SCHEMBL17445852

SCHEMBL17445852

CCCn1c(C)c(C(=O)NC/C=C/C(=O)OC)c2cc(CO)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 4/20 0.39
TSHR P16473 2/20 0.39
CNR2 P34972 4/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PGR P06401 1/20 0.37
GMNN O75496 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL17445858 0.92 KMT2A (0.49) MEN1KMT2ANPC1RAB9AHSD17B10
SCHEMBL17445850 0.88 MAPT (0.43) KMT2ANPC1KDM4EGAALMNA
SCHEMBL17438153 0.87 MEN1 (0.56) MEN1KMT2ANPC1RAB9AHSD17B10
SCHEMBL18588606 0.82 KMT2A (0.46) MEN1KMT2ANPC1RAB9AHSD17B10
SCHEMBL17445855 0.82 GAA (0.39) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL17445853 0.80 GAA (0.44) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL17445854 0.79 GAA (0.45) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL17438024 0.79 MEN1 (0.67) MEN1KMT2ANPC1RAB9AHSD17B10
SCHEMBL17438156 0.75 SPR (0.47) MEN1KMT2ANPC1HSD17B10KDM4E
SCHEMBL17447397 0.75 PLA2G2A (0.62) MEN1KMT2ANPC1RAB9AGAA

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-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 (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 MEN1 2112/4885KMT2A 2599/4885NPC1 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 MEN1 2241/4885KMT2A 3105/4885NPC1 376/4885

“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.