SCHEMBL3597593

SCHEMBL3597593

CCOC(=O)c1cc(-c2nnn(C)n2)c(-c2ccccn2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MAPK14 Q16539 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KIFC1 Q9BW19 1/20 0.42
JMJD6 Q6NYC1 3/20 0.41
HSD17B10 Q99714 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL3592668 0.85 KDM4E (0.47) MAPK14ALDH1A1KDM4EKMT2ANPC1
SCHEMBL3601237 0.83 LMNA (0.45) LMNAMAPK14ALDH1A1HPGDKDM4E
SCHEMBL3598457 0.81 MAPK14 (0.65) MAPK14ALDH1A1HPGDKDM4ETDP1
SCHEMBL3606513 0.77 LMNA (0.45) LMNAMAPK14ALDH1A1HPGDKDM4E
SCHEMBL3605751 0.71 SMN1; SMN2 (0.43) LMNAMAPK14ALDH1A1HPGDKDM4E
SCHEMBL13185669 0.69 KDM4E (0.61) LMNAALDH1A1HPGDKDM4ETDP1
SCHEMBL3613736 0.69 MAPK14 (0.46) LMNAMAPK14ALDH1A1HPGDKDM4E
SCHEMBL29670209 0.68 ALDH1A1 (0.68) LMNAALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL3593014 0.68 ALDH1A1 (0.68) LMNAALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL3615683 0.68 KDM4E (0.44) LMNAALDH1A1HPGDKDM4ETDP1

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 3 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
WO-2006092059-A1 DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS WU FAN (CA) 2006-09-08 WO 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 LMNA 743/4885MAPK14 3384/4885ALDH1A1 4295/4885

“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.