SCHEMBL16894501

SCHEMBL16894501

CCCOc1ccc2c(c1)cc(C(=O)OCC)n2C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.56
SRD5A2 P31213 1/20 0.51
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PLA2G4A P47712 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
SCHEMBL2686875 0.85 L3MBTL1 (0.76) MAOAL3MBTL1SRD5A2MAPTLMNA
SCHEMBL9148528 0.83 L3MBTL1 (0.57) MAOAL3MBTL1SRD5A2MAPTLMNA
SCHEMBL8687408 0.83 SRD5A2 (0.76) MAOAL3MBTL1SRD5A2MEN1KMT2A
SCHEMBL15670291 0.82 L3MBTL1 (0.56) MAOAL3MBTL1SRD5A2MAPTLMNA
SCHEMBL11529770 0.81 MAPT (0.67) L3MBTL1MAPTLMNAMEN1KMT2A
SCHEMBL6520445 0.80 NR1H2 (0.45) MAOAL3MBTL1SRD5A2GABRA1GABRG2
SCHEMBL12170332 0.80 SRD5A2 (0.68) MAOAL3MBTL1SRD5A2KDM4ETDP1
SCHEMBL9144581 0.80 CLK1 (0.55) MAOAL3MBTL1MAPTLMNAKDM4E
SCHEMBL5889514 0.80 MAPT (0.62) MAOAL3MBTL1MAPTLMNAKDM4E
SCHEMBL31287857 0.79 LGALS8 (0.68) MAOAL3MBTL1SRD5A2GABRA2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861570-B1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES UNIV RUTGERS (US) 2018-07-18 EP disclosed
US-9592221-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-14 US disclosed
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 US disclosed
US-9315495-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-04-19 US disclosed
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES PROVID PHARMACEUTICALS INC. 2015-07-16 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-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES POLRMT, POLR1C, FBL MAOA 682/4885L3MBTL1 3752/4885SRD5A2 2723/4885
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES FBL, POLRMT, POLR1C MAOA 517/4885L3MBTL1 2413/4885SRD5A2 3113/4885

“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.