SCHEMBL1491241

SCHEMBL1491241

CC(C)C/N=C1/C(=O)Nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.53
IDO1 P14902 3/20 0.53
POLB P06746 1/20 0.51
PDGFRA P16234 1/20 0.50
FER P16591 1/20 0.50
LTK P29376 1/20 0.50
CDK8 P49336 1/20 0.50
ACVR1 Q04771 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
GAA P10253 2/20 0.48
GFER P55789 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TTR P02766 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL1491242 1.00 LRRK2 (0.53) LRRK2IDO1POLBPDGFRAFER
SCHEMBL28915857 0.77 LRRK2 (0.53) LRRK2IDO1POLBPDGFRAFER
SCHEMBL7740292 0.75 LRRK2 (0.62) LRRK2IDO1POLBPDGFRAFER
SCHEMBL14405656 0.75 LRRK2 (0.62) LRRK2IDO1POLBPDGFRAFER
SCHEMBL7067150 0.75 CA1 (0.52) LRRK2IDO1POLBKMT2AMEN1
SCHEMBL7130694 0.75 CA1 (0.52) LRRK2IDO1POLBKMT2AMEN1
SCHEMBL12971379 0.75 LRRK2 (0.67) LRRK2IDO1POLBPDGFRAFER
SCHEMBL12804786 0.75 LRRK2 (0.67) LRRK2IDO1POLBPDGFRAFER
SCHEMBL12804785 0.75 LRRK2 (0.67) LRRK2IDO1POLBPDGFRAFER
SCHEMBL3613979 0.72 LRRK2 (0.62) LRRK2IDO1POLBPDGFRAFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897635-B2 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-03-01 US disclosed
US-20070082883-A1 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-12 US disclosed
US-7157489-B2 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-01-02 US disclosed
US-20040039016-A1 HIV protease inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-26 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 (2 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-20070082883-A1 HIV protease inhibitors SERPINB1, TMPRSS15, DNPEP LRRK2 2990/4885IDO1 1143/4885POLB 426/4885
US-20040039016-A1 HIV protease inhibitors SERPINB1, TMPRSS15, DNPEP LRRK2 2990/4885IDO1 1143/4885POLB 426/4885

“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.