SCHEMBL21472332

SCHEMBL21472332

CNc1c(NCCC(C)C)c(=O)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.34
ACHE P22303 1/20 0.34
LMNA P02545 1/20 0.33
GRIN2D O15399 2/20 0.32

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
SCHEMBL19173939 0.88 GRIN2D (0.35) POLBTSHRNPSR1HSD17B10L3MBTL1
SCHEMBL24805675 0.86 HDAC1 (0.35) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL22645931 0.83 ALDH1A1 (0.40) POLBTSHRNPSR1HSD17B10L3MBTL1
SCHEMBL25989574 0.79 MALT1 (0.39) POLBTSHRNPSR1HSD17B10L3MBTL1
SCHEMBL19956902 0.78 KDM4E (0.38) POLBL3MBTL1CYP1A2CYP2C19ALDH1A1
SCHEMBL24485658 0.78 GRIN2D (0.41) MEN1KMT2AACHEGRIN2DGRIN3B
SCHEMBL21472286 0.78 GRIN2D (0.52) POLBTSHRNPSR1HSD17B10L3MBTL1
SCHEMBL24437931 0.76 KMT2A (0.43) POLBTSHRNPSR1HSD17B10L3MBTL1
SCHEMBL18121422 0.76 GRIN2D (0.38) ALDH1A1KDM4EGAAACHELMNA
SCHEMBL22645938 0.75 CYP1A2 (0.38) POLBTSHRNPSR1HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190314291-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS TO IMMUNE CELLS MODERNATX, INC. 2019-10-17 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 (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-20190314291-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS TO IMMUNE CELLS LCP2, CD14, MYD88 POLB 2067/4885TSHR 3402/4885NPSR1 2147/4885

“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.