SCHEMBL3860684

SCHEMBL3860684

CS(=O)(=O)CNc1cnccc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 18/20 0.51
▸ KDM6B O15054 8/20 0.51
▸ KDM4E B2RXH2 3/20 0.47
▸ KDM4A O75164 3/20 0.47
▸ KDM4D Q6B0I6 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.45
▸ SIRT3 Q9NTG7 1/20 0.45
▸ KDM5C P41229 1/20 0.43
▸ SLCO1B1 Q9Y6L6 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ KDM5B Q9UGL1 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5718472 0.77 KDM4C (0.66) KDM4CKDM6BKDM4EKDM4AKDM4D
SCHEMBL17723987 0.76 KDM4C (0.71) KDM4CKDM6BKDM4EKDM4AKDM4D
SCHEMBL18421265 0.74 KDM4C (0.51) KDM4CKDM6BKDM4EKDM4AKDM4D
SCHEMBL4302547 0.72 AOC1 (0.53) KDM4CKDM6BKDM4EKDM4AKDM4D
SCHEMBL29892972 0.72 KDM4C (0.52) KDM4CKDM6BKDM4EKDM4AKDM4D
SCHEMBL5617078 0.71 TDP1 (0.53) KDM4CKDM6BKDM4EKDM4AKDM4D
SCHEMBL17711000 0.71 KDM4C (0.51) KDM4CKDM6BKDM4EKDM4AKDM4D
SCHEMBL17560234 0.70 PTGS1 (0.42) KDM4CTDP1SIRT3
SCHEMBL18422044 0.70 IRAK4 (0.50) KDM4CKDM6BKDM4EKDM4AKDM4D
SCHEMBL29601833 0.70 IRAK4 (0.50) KDM4CKDM6BKDM4EKDM4AKDM4D

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 KDM4C 2623/4885KDM6B 1726/4885KDM4E 1975/4885

“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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