SCHEMBL3598559

SCHEMBL3598559

COC(=O)c1ccccc1-c1cc(-c2nnn[nH]2)c(-c2ccccc2C(=O)OC)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.42
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 1/20 0.41
ROCK2 O75116 1/20 0.38
CSF1R P07333 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
ROCK1 Q13464 1/20 0.38
SLK Q9H2G2 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
GRM5 P41594 1/20 0.37

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
SCHEMBL3605747 0.86 KDM4E (0.38) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL5636136 0.84 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2ROCK2CSF1R
SCHEMBL3606367 0.76 PDE4D (0.41) SLC6A3SLC6A4SLC6A2ALDH1A1HPGD
SCHEMBL3607514 0.75 IDO1 (0.36) GSK3AGSK3BCDK5ALDH1A1HPGD
SCHEMBL3602742 0.73 KDM4E (0.41) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL12496462 0.70 APP (0.42) GSK3AGSK3BCDK5ALDH1A1HPGD
SCHEMBL1482740 0.69 RAB9A (0.40) SLC6A3SLC6A4ALDH1A1HPGDGAA
SCHEMBL11647516 0.69 CSNK1A1 (0.40) CSF1RKDRGSK3AGSK3BCDK5
SCHEMBL17010932 0.68 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2ALDH1A1HPGD
SCHEMBL3596652 0.68 NOTUM (0.42) KDRFLT3GSK3AGSK3BCDK5

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-8835476-B2 Synthesis of novel antimicrobials WU FAN (CA) 2014-09-16 US disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 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-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 SLC6A3 3130/4885SLC6A4 3431/4885SLC6A2 3283/4885

“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.