Sugi Predict

Sugi Predict / Compounds / SCHEMBL6924244

SCHEMBL6924244

SCHEMBL6924244

O/N=C(/Cl)c1ncccc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 2/20 0.38
▸ CTNNB1 P35222 2/20 0.37
▸ WNT3A P56704 2/20 0.37
▸ KDM4E B2RXH2 6/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MPI P34949 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ AGER Q15109 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ NAPRT Q6XQN6 1/20 0.32
▸ CTH P32929 1/20 0.32

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
SCHEMBL2232700 1.00 CTSA (0.38) CTSACTNNB1WNT3AKDM4EL3MBTL1
SCHEMBL2232702 1.00 CTSA (0.38) CTSACTNNB1WNT3AKDM4EL3MBTL1
SCHEMBL14034081 0.78 KDM4E (0.35) CTSACTNNB1WNT3AKDM4EL3MBTL1
SCHEMBL30139581 0.77 ADRA2A (0.37) CTSACTNNB1WNT3AKDM4EL3MBTL1
SCHEMBL14394979 0.77 ADRA2A (0.37) CTSACTNNB1WNT3AKDM4EL3MBTL1
SCHEMBL5222559 0.77 ADRA2A (0.37) CTSACTNNB1WNT3AKDM4EL3MBTL1
SCHEMBL15863495 0.76 ALDH1A1 (0.47) CTSACTNNB1WNT3AKDM4EL3MBTL1
SCHEMBL20385462 0.74 MGLL (0.42) CTSACTNNB1WNT3AKDM4EL3MBTL1
SCHEMBL29335085 0.73 NAPRT (0.53) KDM4EL3MBTL1MPIMAPTALDH1A1
SCHEMBL6069313 0.73 NAPRT (0.53) KDM4EL3MBTL1MPIMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916584-B2 Benzisoxazoles and azabenzisoxazoles as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-12-23 — — US disclosed
US-8916584-B2 Benzisoxazoles and azabenzisoxazoles as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-12-23 — — US disclosed
US-20130079366-A1 Benzisoxazoles and Azabenzisoxazoles as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction VANDERBILT UNIVERSITY (US) 2013-03-28 — — US disclosed
US-20130079366-A1 Benzisoxazoles and Azabenzisoxazoles as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction VANDERBILT UNIVERSITY (US) 2013-03-28 — — US disclosed
WO-2011100614-A1 BENZISOXAZOLES AND AZABENZISOXAZOLES AS mgluR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2011-08-18 — — 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 (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-20130079366-A1 Benzisoxazoles and Azabenzisoxazoles as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction GRIK4, GRM4, GRIA4 CTSA 2719/4885CTNNB1 4765/4885WNT3A 4681/4885

“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.