SCHEMBL3328509

SCHEMBL3328509

CCCC[Sn](CCCC)(CCCC)c1sccc1-c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.39
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3607828 0.92 AGTR1 (0.38) AGTR1
SCHEMBL3601295 0.83 AGTR1 (0.38) AGTR1POLBSMN1; SMN2
SCHEMBL3328548 0.74 AGTR1 (0.32) AGTR1POLBSMN1; SMN2
SCHEMBL3329106 0.73 PTGS2 (0.37) AGTR1POLBSMN1; SMN2
SCHEMBL3326379 0.72 AGTR1 (0.35) AGTR1POLBSMN1; SMN2
SCHEMBL6047203 0.71 PTGS2 (0.38)
SCHEMBL3610158 0.71 HSD17B1 (0.40) AGTR1
SCHEMBL3328019 0.70 MAPK14 (0.43) POLBSMN1; SMN2
SCHEMBL3327277 0.70 ALDH1A1 (0.33) AGTR1SMN1; SMN2
SCHEMBL30743612 0.69 ABCG2 (0.55) AGTR1POLBSMN1; SMN2

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 5 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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 US disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 US disclosed
WO-2008128321-A1 THERAPEUTIC PRO-ANTIBIOTIC AGENTS AND METHODS OF USE THEREOF DENOVAMED INC. (CA) 2008-10-30 WO 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 (2 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 AGTR1 912/4885POLB 1277/4885SMN1; SMN2 4868/4885
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof NAT1, NAPEPLD, NR1I2 AGTR1 2359/4885POLB 2264/4885SMN1; SMN2 3325/4885

“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.