SCHEMBL3601295

SCHEMBL3601295

CCCC[Sn](CCCC)(CCCC)c1cc(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c([Sn](CCCC)(CCCC)CCCC)s1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.38
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3610158 0.86 HSD17B1 (0.40) AGTR1
SCHEMBL3328509 0.83 AGTR1 (0.39) AGTR1POLBSMN1; SMN2
SCHEMBL3607828 0.76 AGTR1 (0.38) AGTR1
SCHEMBL30743612 0.67 ABCG2 (0.55) AGTR1POLBSMN1; SMN2L3MBTL1
SCHEMBL2161550 0.66 ABCG2 (0.41) AGTR1POLBSMN1; SMN2TSHRMAPK1
SCHEMBL488980 0.66 AGTR1 (0.50) AGTR1SMN1; SMN2
SCHEMBL4638846 0.65 ABCG2 (0.46) AGTR1POLBSMN1; SMN2TSHRMAPK1
SCHEMBL3324438 0.65 AGTR1 (0.33) AGTR1POLBSMN1; SMN2L3MBTL1
SCHEMBL6164835 0.65 AGTR1 (0.43) AGTR1
SCHEMBL7577190 0.65

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 AGTR1 912/4885POLB 1277/4885SMN1; SMN2 4868/4885

“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.