SCHEMBL3610158

SCHEMBL3610158

CCCC[Sn](CCCC)(CCCC)c1cc(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c([Sn](CCCC)(CCCC)CCCC)s1.Oc1cccc(-c2cc(-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)c(-c3cccc(O)c3)s2)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.40
HSD17B2 P37059 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.34
AGTR1 P30556 1/20 0.33
MAPT P10636 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
SCHEMBL3601295 0.86 AGTR1 (0.38) AGTR1
SCHEMBL3328509 0.71 AGTR1 (0.39) AGTR1
SCHEMBL3597248 0.69 HSD17B1 (0.59) HSD17B1HSD17B2TRPM8MAPT
SCHEMBL3607828 0.65 AGTR1 (0.38) AGTR1
SCHEMBL4602918 0.62 AGTR1 (0.40) AGTR1
SCHEMBL30743612 0.62 ABCG2 (0.55) AGTR1MAPT
Ammonia Solution, Strong SCHEMBL28387773 0.62 HSD17B1 (0.34) HSD17B1
SCHEMBL2161550 0.61 ABCG2 (0.41) AGTR1MAPT
SCHEMBL4638378 0.60 SMN1; SMN2 (0.51)
SCHEMBL3873970 0.60 AGTR1 (0.46) AGTR1

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 HSD17B1 3041/4885HSD17B2 3760/4885TRPM8 2375/4885

“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.