SCHEMBL95732

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
	SCHEMBL6570911	0.87	HDAC1 (0.76)	NPC1HDAC1CXCR3MEN1KMT2A
	SCHEMBL3461102	0.86	NPC1 (0.70)	NPC1HDAC1CXCR3MEN1KMT2A
	SCHEMBL19630494	0.85	NPC1 (0.61)	NPC1HDAC1CXCR3MEN1KMT2A
	SCHEMBL30462959	0.85	NPC1 (0.61)	NPC1HDAC1CXCR3MEN1KMT2A
	SCHEMBL13947495	0.85	NPC1 (0.61)	NPC1HDAC1CXCR3MEN1KMT2A
	SCHEMBL1169303	0.85	HDAC1 (0.62)	NPC1HDAC1CXCR3MEN1KMT2A
	SCHEMBL5332860	0.84	NPC1 (0.72)	NPC1HDAC1MEN1KMT2AMAPK3
	SCHEMBL24628975	0.83	ROCK2 (0.62)	NPC1HDAC1CXCR3MAPK3MAPK1
	SCHEMBL3028316	0.83	HDAC1 (0.71)	NPC1HDAC1CXCR3MAPK3MAPK1
	SCHEMBL1569143	0.82	NPC1 (0.73)	NPC1MAPK3MAPK1CYP3A4CYP2D6

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 9 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 (3 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.