SCHEMBL2280187

SCHEMBL2280187

NC(=O)NCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
TSHR P16473 1/20 0.69
EPHX2 P34913 11/20 0.66
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
P2RX7 Q99572 1/20 0.50
HSD17B10 Q99714 1/20 0.49
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 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
SCHEMBL13685610 0.86 EPHX2 (0.66) ALDH1A1TSHREPHX2MEN1KMT2A
SCHEMBL2290939 0.82 ALDH1A1 (1.00) ALDH1A1TSHREPHX2P2RX7HSD17B10
SCHEMBL8338683 0.81 MEN1 (0.67) ALDH1A1TSHREPHX2MEN1KMT2A
SCHEMBL1239130 0.81 EPHX2 (0.56) ALDH1A1TSHREPHX2MEN1KMT2A
Iodide SCHEMBL1714835 0.79 EPHX2 (0.54) ALDH1A1TSHREPHX2MEN1KMT2A
SCHEMBL14341838 0.78 KMT2A (0.63) ALDH1A1TSHREPHX2MEN1KMT2A
SCHEMBL13652574 0.78 KMT2A (0.68) ALDH1A1TSHREPHX2MEN1KMT2A
SCHEMBL14503280 0.74 MEN1 (0.67) ALDH1A1EPHX2MEN1KMT2AP2RX7
SCHEMBL660423 0.74 ALDH1A1 (0.53) ALDH1A1TSHREPHX2MEN1KMT2A
SCHEMBL21245130 0.73 EPHX2 (0.56) ALDH1A1TSHREPHX2MEN1KMT2A

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-7998989-B2 2-Imino-1,3-thiazoline-based compounds and T-type calcium channel inhibitors containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-08-16 US disclosed
US-20080293786-A1 NOVEL 2-IMINO-1,3-THIAZOLINE-BASED COMPOUNDS AND T-TYPE CALCIUM CHANNEL INHIBITORS CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-11-27 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-20080293786-A1 NOVEL 2-IMINO-1,3-THIAZOLINE-BASED COMPOUNDS AND T-TYPE CALCIUM CHANNEL INHIBITORS CONTAINING THE SAME CACNA1I, CACNA1H, CACNA1G ALDH1A1 2247/4885TSHR 2104/4885EPHX2 3815/4885

“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.