SCHEMBL3860124

SCHEMBL3860124

CCCCNc1cnc(N(C)S(C)(=O)=O)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM6B O15054 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ CISD1 Q9NZ45 7/20 0.39
▸ JAK2 O60674 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HCAR3 P49019 1/20 0.34
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ EPHX2 P34913 1/20 0.33

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
SCHEMBL5159406 0.87 KDM6B (0.40) KDM6BKDM4CCISD1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3855171 0.80 KDM6B (0.43) KDM6BKDM4CCISD1JAK2KDM4E
Hydrochloric Acid SCHEMBL4365233 0.73 NNMT (0.32) JAK2HSD17B10JAK1JAK3
SCHEMBL3860110 0.73 BACE1 (0.45) HCAR3EPHX2
SCHEMBL5153914 0.67 KDM6B (0.41) KDM6BKDM4CCISD1KDM4EALDH1A1
SCHEMBL5158280 0.67 HCAR3 (0.46) KDM4EALDH1A1HPGDHSD17B10HCAR3
SCHEMBL5158867 0.65 KDM4C (0.59) KDM6BKDM4CCISD1KDM4EHCAR3
SCHEMBL5159403 0.65 BACE1 (0.42) KDM4EALDH1A1HSD17B10HCAR3
SCHEMBL14577687 0.64 TSHR (0.53) KDM6BKDM4CKDM4EALDH1A1HPGD
SCHEMBL2429407 0.64 CISD1 (0.53) KDM6BKDM4CCISD1HSD17B10HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 — — US disclosed
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS ELI LILLY AND COMPANY 2007-09-13 — — 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-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 KDM6B 1726/4885KDM4C 2623/4885CISD1 794/4885

“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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