SCHEMBL19628656

SCHEMBL19628656

C#CCOc1ccc(COC(=O)NCCc2c[nH]cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
MTNR1A P48039 2/20 0.36
IDO1 P14902 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP19A1 P11511 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
HTT P42858 1/20 0.35
ADAM10 O14672 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
ADAM17 P78536 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNA3 P22001 1/20 0.35
KCNA5 P22460 1/20 0.35

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
SCHEMBL6663264 0.81 LMNA (0.56) L3MBTL1MAPTKMT2AIDO1LMNA
SCHEMBL19628651 0.81 MAPT (0.39) MAPTKMT2AMTNR1AIDO1LMNA
SCHEMBL17038779 0.70 MTNR1B (0.42) GLAKMT2AMTNR1AALDH1A1TAAR1
SCHEMBL10447512 0.70 L3MBTL1 (0.59) L3MBTL1MAPTGLAKMT2ALMNA
SCHEMBL9331618 0.69 L3MBTL1 (0.58) L3MBTL1MAPTGLAKMT2ALMNA
SCHEMBL19628875 0.69
SCHEMBL19628650 0.69 ALDH1A1 (0.51) L3MBTL1MAPTSMN1; SMN2CYP19A1HTT
SCHEMBL7618103 0.69 LTA4H (0.48) EPHX2
SCHEMBL7618099 0.69 LTA4H (0.48) EPHX2
SCHEMBL9803524 0.69 ACHE (0.38)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200289554-A1 BIOORTHOGONAL COMPOUNDS COMPRISING A PROPARGYL GROUP FOR TREATING CANCER THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2020-09-17 US disclosed
WO-2017199028-A1 BIOORTHOGONAL COMPOUNDS COMPRISING A PROPARGYL GROUP FOR TREATING CANCER THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2017-11-23 WO 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 (1 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-20200289554-A1 BIOORTHOGONAL COMPOUNDS COMPRISING A PROPARGYL GROUP FOR TREATING CANCER MCL1, DNPEP, PPOX L3MBTL1 1016/4885MAPT 3915/4885GLA 448/4885

“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.