SCHEMBL23724061

SCHEMBL23724061

Nc1ccc(OCCN2CCCCCC2)cc1

nearest known ligand 0.87

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.87
PTGS1 P23219 1/20 0.87
PTGS2 P35354 1/20 0.87
PSMB1 P20618 7/20 0.70
PSMB5 P28074 7/20 0.70
PSMB2 P49721 6/20 0.70
HRH3 Q9Y5N1 5/20 0.68
KCNH2 Q12809 1/20 0.65

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
SCHEMBL3937460 1.00 LTA4H (0.87) LTA4HPTGS1PTGS2PSMB1PSMB5
Hydrochloric Acid SCHEMBL3997911 0.98 LTA4H (0.84) LTA4HPTGS1PTGS2PSMB1PSMB5
SCHEMBL56495 0.98 LTA4H (0.90) LTA4HPTGS1PTGS2PSMB1PSMB5
Hydrochloric Acid SCHEMBL15254264 0.96 LTA4H (0.87) LTA4HPTGS1PTGS2PSMB1PSMB5
SCHEMBL4465869 0.91 HRH3 (0.75) LTA4HPTGS1PTGS2HRH3KCNH2
SCHEMBL2968936 0.91 HRH3 (0.75) LTA4HPTGS1PTGS2HRH3KCNH2
SCHEMBL4993214 0.90 HRH3 (0.73) LTA4HPTGS1PTGS2HRH3KCNH2
Hydrochloric Acid SCHEMBL736843 0.90 HRH3 (0.73) LTA4HPTGS1PTGS2HRH3KCNH2
SCHEMBL4457910 0.89 LTA4H (0.76) LTA4HPTGS1PTGS2HRH3KCNH2
SCHEMBL3398830 0.89 LTA4H (0.75) LTA4HPTGS1PTGS2PSMB1PSMB5

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-20240246920-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY KING'S COLLEGE LONDON (GB) 2024-07-25 US disclosed
EP-4100400-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY Kings College London (GB) 2022-12-14 EP disclosed
WO-2021156636-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY KING'S COLLEGE LONDON (GB) 2021-08-12 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-20240246920-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY RIF1, NAT1, POLR1C LTA4H 2619/4885PTGS1 2856/4885PTGS2 4083/4885

“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.