SCHEMBL29566634

SCHEMBL29566634

Cc1cc(=O)oc2cc(N[C@@H](CCCCN)C(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)C(C)C)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ HPGD P15428 6/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CA12 O43570 4/20 0.40
▸ CA9 Q16790 4/20 0.40
▸ CA1 P00915 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL29565850 0.89 KDM4E (0.46) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL3362215 0.89 KDM4E (0.46) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL29565914 0.89 KDM4E (0.46) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL11457192 0.89 KDM4E (0.46) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL1269496 0.82 KDM4E (0.48) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL29567047 0.82 KDM4E (0.48) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL6045246 0.80 TDP1 (0.48) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL11474747 0.80 TDP1 (0.48) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL11983774 0.77 CA12 (0.50) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL10315741 0.77 CA12 (0.50) KDM4EALDH1A1HPGDRAB9ANPC1

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-12378209-B2 Protease inhibitors MEDIVIR AB (SE) 2025-08-05 — — US disclosed
US-20220332690-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2022-10-20 — — US disclosed
US-11312693-B2 Protease inhibitors MEDIVIR AB (SE) 2022-04-26 — — 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-11312693-B2 Protease inhibitors CTSK, CTSF, CTSS KDM4E 3773/4885ALDH1A1 3140/4885HPGD 3002/4885
US-12378209-B2 Protease inhibitors MMP26, CTSK, TMPRSS6 KDM4E 3767/4885ALDH1A1 2959/4885HPGD 3029/4885
US-20220332690-A1 PROTEASE INHIBITORS MMP26, CTSK, TMPRSS6 KDM4E 3767/4885ALDH1A1 2959/4885HPGD 3029/4885

“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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