SCHEMBL19032017

SCHEMBL19032017

O=c1cc[nH]c2c1CCCC2.[PbH2]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
CCR8 P51685 1/20 0.35
HSD17B10 Q99714 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
MAPT P10636 2/20 0.32
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDPK1 O15530 1/20 0.31
USP2 O75604 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL293154 0.98 PARP1 (0.40) PARP1SMN1; SMN2ALOX15ALDH1A1KDM4E
SCHEMBL290716 0.69 OR51E2 (0.38) PARP1ALDH1A1KDM4EKMT2ACCR8
SCHEMBL30667285 0.69 DYRK1A (0.39) PARP1ALDH1A1KDM4EKMT2ACCR8
SCHEMBL31747859 0.67 CCR8 (0.32) PARP1KMT2ACCR8
SCHEMBL13511 0.66
SCHEMBL29966643 0.64 PARP1 (0.53) PARP1SMN1; SMN2ALOX15ALDH1A1KDM4E
SCHEMBL29420758 0.64 TRIM24 (0.37) PARP1SMN1; SMN2ALDH1A1
SCHEMBL31468005 0.64 TSHR (0.38) ALOX15ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL20846254 0.64 TSHR (0.38) ALOX15ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL4065666 0.64 TSHR (0.38) ALOX15ALDH1A1KDM4EHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964944-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases THE UNIVERSITY OF CHICAGO (US) 2024-04-23 US disclosed
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
US-11414385-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases THE UNIVERSITY OF CHICAGO 2022-08-16 US disclosed
US-20200283391-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2020-09-10 US disclosed
EP-3394032-A1 COMPOUNDS AND METHODS FOR TREATING, DETECTING, AND IDENTIFYING COMPOUNDS TO TREAT APICOMPLEXAN PARASITIC DISEASES The University of Chicago (US) 2018-10-31 EP disclosed
WO-2017112678-A1 COMPOUNDS AND METHODS FOR TREATING, DETECTING, AND IDENTIFYING COMPOUNDS TO TREAT APICOMPLEXAN PARASITIC DISEASES MCLEOD RIMA (US) 2017-06-29 WO 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 (4 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-20200283391-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases TUBB1, MYADM, TUBB PARP1 3880/4885SMN1; SMN2 4842/4885ALOX15 2858/4885
US-11964944-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases TUBB1, MYADM, TUBB PARP1 4108/4885SMN1; SMN2 4839/4885ALOX15 2609/4885
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases TUBB1, MYADM, TUBB PARP1 4108/4885SMN1; SMN2 4839/4885ALOX15 2609/4885
US-11414385-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases TUBB1, MYADM, TUBB PARP1 3880/4885SMN1; SMN2 4842/4885ALOX15 2858/4885

“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.