SCHEMBL3601375

SCHEMBL3601375

CCOC(=O)c1cccc(-c2cc(-c3nnnn3C)c(-c3cccc(C(=O)OCC)c3)s2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
JMJD6 Q6NYC1 2/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL3608422 0.86 NPSR1 (0.43) MAPTALDH1A1HPGDHSD17B10NPSR1
SCHEMBL3613513 0.80 ALDH1A1 (0.41) MAPTALDH1A1HPGDHSD17B10KDM4E
SCHEMBL3597343 0.79 HSD17B1 (0.59) MAPT
SCHEMBL3610616 0.77 NPSR1 (0.48) MAPTALDH1A1HPGDHSD17B10NPSR1
SCHEMBL3592991 0.76 NPSR1 (0.40) MAPTALDH1A1HPGDHSD17B10NPSR1
SCHEMBL12497225 0.76 ALDH1A1 (0.41) MAPTALDH1A1HPGDHSD17B10KDM4E
SCHEMBL3604669 0.73 MAPK14 (0.65) MAPTALDH1A1HPGDHSD17B10NPSR1
SCHEMBL3605885 0.73 ESR1 (0.56) MAPTNPSR1SMN1; SMN2
SCHEMBL3605751 0.72 SMN1; SMN2 (0.43) MAPTALDH1A1HPGDHSD17B10KDM4E
SCHEMBL3607560 0.72 PDE4D (0.44) HPGDRAB9ANPC1

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 MAPT 4883/4885ALDH1A1 4295/4885HPGD 1038/4885

“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.