SCHEMBL3606367

SCHEMBL3606367

COC(=O)c1ccccc1-c1cc(-c2nnnn2C)c(-c2ccccc2C(=O)OC)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.41
PDE7A Q13946 1/20 0.41
GRM5 P41594 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HIF1A Q16665 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SLC6A3 Q01959 4/20 0.39
SLC6A4 P31645 3/20 0.38
SLC6A2 P23975 1/20 0.38
MAPT P10636 4/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
MYC P01106 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL3598559 0.76 SLC6A3 (0.42) PDE4DPDE7AGRM5SLC6A3SLC6A4
SCHEMBL8790648 0.70 SLC6A3 (0.50) PDE4DPDE7ANPSR1SLC6A3SLC6A4
SCHEMBL31330126 0.69 SLC6A3 (0.49) NPSR1SLC6A3SLC6A4SLC6A2MAPT
SCHEMBL3604637 0.69 HTR2C (0.47) NPSR1HIF1ARXFP1MEN1KMT2A
SCHEMBL3596170 0.69 IKBKB (0.55) NPSR1MAPTPOLBMEN1KMT2A
SCHEMBL3603097 0.69 NPC1 (0.41) NPSR1HIF1ARXFP1MAPTPOLB
SCHEMBL17080330 0.69 BCAT2 (0.46) GRM5NPSR1HIF1ARXFP1MAPT
SCHEMBL3601375 0.68 MAPT (0.46) NPSR1MAPTPOLBMEN1KMT2A
SCHEMBL3603955 0.68 MAPT (0.44) NPSR1MAPTPOLBMEN1KMT2A
SCHEMBL3603100 0.68 NPC1 (0.40) NPSR1HIF1ARXFP1MAPTPOLB

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 PDE4D 1280/4885PDE7A 595/4885GRM5 4385/4885

“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.