SCHEMBL25523006

SCHEMBL25523006

CCOC(=O)c1c(N)nc2n1CCS2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
POLB P06746 3/20 0.44
TP53 P04637 1/20 0.39
CYP1A2 P05177 3/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL31714775 0.73 POLB (0.67) LMNAALDH1A1HPGDKDM4EHTT
SCHEMBL12777983 0.73 POLB (0.47) LMNAALDH1A1HPGDKDM4EHTT
SCHEMBL3738019 0.72 POLB (0.62) LMNAALDH1A1HPGDKDM4EHTT
SCHEMBL31714780 0.70 POLB (0.44) LMNAALDH1A1HPGDKDM4EPOLB
SCHEMBL7180163 0.68 NPC1 (0.47) LMNAALDH1A1HPGDKDM4EPOLB
SCHEMBL9433134 0.68 TSHR (0.64) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL10846139 0.66 KMT2A (0.45) LMNAALDH1A1HPGDKDM4EHTT
SCHEMBL3228644 0.66 KMT2A (0.45) LMNAALDH1A1HPGDKDM4EHTT
SCHEMBL2843820 0.64 ALDH1A1 (0.59) LMNAALDH1A1HPGDKDM4EHTT
SCHEMBL9296714 0.64 LMNA (0.48) LMNAALDH1A1HPGDKDM4EHTT

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-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 US disclosed
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 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-11666577-B2 MLKL inhibitors MLKL, CMKLR1, PCSK9 LMNA 577/4885ALDH1A1 4376/4885HPGD 2642/4885

“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.