SCHEMBL378046

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
	SCHEMBL377722	0.91	HTR1A (0.46)	HTR1ADRD2HTR2AKDM4EALDH1A1
	SCHEMBL378321	0.83	TNKS (0.50)	HTR1ADRD2HTR2AKDM4EALDH1A1
	SCHEMBL12773842	0.72	TNKS (0.53)	KDM4EALDH1A1MAPTMEN1POLB
	SCHEMBL146847	0.72	GSK3B (0.64)	KDM4EALDH1A1MAPTPARP1TNKS
	SCHEMBL30434069	0.72	GSK3B (0.64)	KDM4EALDH1A1MAPTPARP1TNKS
	SCHEMBL377651	0.71	BRD4 (0.70)	KDM4EALDH1A1MAPTMEN1POLB
	SCHEMBL377778	0.70	MAPKAPK2 (0.47)	PARP1TNKS
	SCHEMBL30434521	0.69	GSK3B (0.51)	KDM4EALDH1A1POLBHPGDPARP1
	SCHEMBL148677	0.69	GSK3B (0.51)	KDM4EALDH1A1POLBHPGDPARP1
	SCHEMBL16307903	0.69	HTR1A (0.51)	HTR1ADRD2HTR2AALDH1A1MAPT

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 23 patents — showing the first 20. 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 (6 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.