SCHEMBL5077786

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.

	Compound	similarity	top predicted	shared targets
	SCHEMBL5669546	0.80	CYP2A6 (0.59)	CYP2A6GRM5TSHRNPC1TP53
	SCHEMBL5078491	0.80	GRM5 (0.60)	CYP2A6COMTGRM5TSHRNPC1
	SCHEMBL5077794	0.79	GRM5 (0.49)	CYP2A6COMTGRM5NPC1TP53
	SCHEMBL2732909	0.78	CYP2A6 (0.50)	CYP2A6COMTTSHRNPC1TP53
	[2,3'']Bipyridinyl SCHEMBL29389597	0.77	CYP2A6 (1.00)	CYP2A6TSHRNPC1TP53RAB9A
	[2,3'']Bipyridinyl SCHEMBL29360744	0.77	CYP2A6 (1.00)	CYP2A6TSHRNPC1TP53RAB9A
	[2,3'']Bipyridinyl SCHEMBL29486847	0.77	CYP2A6 (1.00)	CYP2A6TSHRNPC1TP53RAB9A
	[2,3'']Bipyridinyl SCHEMBL998601	0.77	CYP2A6 (1.00)	CYP2A6TSHRNPC1TP53RAB9A
	SCHEMBL10020874	0.76	CYP2A6 (0.76)	CYP2A6GRM5TSHRNPC1TP53
	[2,3'']Bipyridinyl SCHEMBL1418333	0.75	CYP2A6 (0.96)	CYP2A6TSHRNPC1TP53RAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

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.

“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.