SCHEMBL3606513

SCHEMBL3606513

CCOC(=O)c1cc(-c2nnn[nH]2)c(-c2ccccn2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
MAPK14 Q16539 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 3/20 0.39
CASP1 P29466 1/20 0.39
JMJD6 Q6NYC1 2/20 0.39
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL3611041 0.84 KDM4E (0.46) LMNAMAPK14ALDH1A1KDM4EHPGD
SCHEMBL3605760 0.80 MAPK14 (0.66) LMNAMAPK14ALDH1A1KDM4EHPGD
SCHEMBL3601656 0.80 MAPK14 (0.52) LMNAMAPK14ALDH1A1KDM4EHPGD
SCHEMBL3601237 0.80 LMNA (0.45) LMNAMAPK14ALDH1A1KDM4EHPGD
SCHEMBL3597593 0.77 LMNA (0.44) LMNAMAPK14ALDH1A1KDM4EHPGD
SCHEMBL3613513 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL3592492 0.70 STK17B (0.43) LMNAMAPK14ALDH1A1KDM4EHPGD
SCHEMBL13185669 0.70 KDM4E (0.61) LMNAALDH1A1KDM4EHPGDTDP1
SCHEMBL5639017 0.69 NPC1 (0.49) ALDH1A1KDM4EHPGDJMJD6RAB9A
SCHEMBL20773742 0.69 LMNA (0.58) LMNAALDH1A1KDM4EHPGDL3MBTL1

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.