SCHEMBL1817604

SCHEMBL1817604

CC(C)(O)c1cccnc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.48
NOS2 P35228 3/20 0.48
NOS1 P29475 1/20 0.48
NAPRT Q6XQN6 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MAP4K4 O95819 2/20 0.35
PRKCI P41743 2/20 0.35
PLCG1 P19174 1/20 0.35
LTA4H P09960 1/20 0.34
MAPK14 Q16539 1/20 0.34
PGR P06401 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL283791 0.83 NOS3 (0.52) NOS3NOS2NOS1NAPRTSMN1; SMN2
SCHEMBL20424997 0.79 NOS3 (0.48) NOS3NOS2NOS1NAPRTSMN1; SMN2
SCHEMBL2083721 0.77 P2RX7 (0.39) NOS3NOS2NOS1SMN1; SMN2L3MBTL1
SCHEMBL20686388 0.76 NOS2 (0.45) NOS3NOS2NOS1NAPRTSMN1; SMN2
SCHEMBL25736998 0.76 NOS2 (0.45) NOS3NOS2NOS1NAPRTSMN1; SMN2
SCHEMBL27520120 0.76 NOS3 (0.41) NOS3NOS2NOS1NAPRTSMN1; SMN2
SCHEMBL646416 0.75 NAPRT (0.42) NAPRTSMN1; SMN2L3MBTL1MAP4K4PLCG1
SCHEMBL21166180 0.75 CA2 (0.37) NOS3NOS2NOS1SMN1; SMN2L3MBTL1
SCHEMBL30137376 0.75 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1PLCG1PGRALDH1A1
SCHEMBL1804567 0.75 TRIM24 (0.39) NOS3NOS2NOS1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3371179-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI (FR) 2018-09-12 EP disclosed
WO-2017076998-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI (FR) 2017-05-11 WO disclosed
US-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011060199-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 WO disclosed
US-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-06-24 US disclosed
EP-1844768-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-10-17 EP 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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD NOS3 4206/4885NOS2 3942/4885NOS1 4487/4885
US-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR NR3C2, AGTR1, AGTR2 NOS3 442/4885NOS2 1398/4885NOS1 880/4885

“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.