SCHEMBL24512547

SCHEMBL24512547

CNC(=O)CCC(=O)N1Cc2ccccc2-c2nnn(C)c2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TP53 P04637 3/20 0.38
▸ TSHR P16473 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35

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
SCHEMBL26270102 0.96 LMNA (0.39) LMNAMAPTHSD17B10TP53TSHR
SCHEMBL17449686 0.94 NAMPT (0.42) LMNAMAPT
SCHEMBL18880167 0.91 LMNA (0.41) LMNAMAPTHSD17B10TP53TSHR
SCHEMBL23961891 0.89 KDM4E (0.36) LMNAMAPTTP53TSHRNOTUM
SCHEMBL23961961 0.89 TSHR (0.38) LMNAMAPTHSD17B10TSHRNOTUM
SCHEMBL24512829 0.88 NOTUM (0.50) LMNATP53TSHRNOTUM
SCHEMBL23198167 0.87 SMN1; SMN2 (0.40) LMNAMAPTTSHRNOTUM
SCHEMBL27357480 0.87 KDM4E (0.38) LMNAMAPTTSHRNOTUM
SCHEMBL18309329 0.86 PTGER1 (0.36) TP53
SCHEMBL25082523 0.86 KDM4E (0.41) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185803-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2022-06-16 — — US 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-20220185803-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA1, FOLH1, KLK3 LMNA 3918/4885MAPT 1379/4885HSD17B10 4081/4885

“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.

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