SCHEMBL24062006

SCHEMBL24062006

O/N=C\c1csc(C#Cc2ccccn2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.47
KCNH2 Q12809 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSP90AA1 P07900 1/20 0.37
ALOX15 P16050 1/20 0.37
ERN1 O75460 1/20 0.36
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 2/20 0.35

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
SCHEMBL25714645 1.00 GRM5 (0.47) GRM5KCNH2ALDH1A1MAPTPKM
SCHEMBL24075918 0.83 ALOX15 (0.32) GRM5ALDH1A1MAPTPKMHTT
SCHEMBL25714669 0.83 ALOX15 (0.32) GRM5ALDH1A1MAPTPKMHTT
SCHEMBL25714677 0.80 GRM5 (0.54) GRM5ALDH1A1PKMHPGDALOX15
SCHEMBL24075982 0.80 GRM5 (0.54) GRM5ALDH1A1PKMHPGDALOX15
SCHEMBL24061980 0.76 GRM5 (0.41) GRM5RAB9ANPC1
SCHEMBL25714648 0.76 GRM5 (0.41) GRM5RAB9ANPC1
SCHEMBL24061998 0.75 GRM5 (0.59) GRM5CYP1A2
SCHEMBL25714637 0.75 GRM5 (0.59) GRM5CYP1A2
SCHEMBL24075297 0.74 RAB9A (0.42) GRM5KCNH2ALDH1A1MAPTPKM

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
EP-4157838-B1 THIAZOLOXIME AND OXAZOLOXIME DERIVATIVES AS REACTIVATORS OF ORGANOPHOSPHOROUS NERVE AGENT (OPNA)-INHIBITED HUMAN ACETYLCHOLINESTERASE FOR THE TREATMENT OF NERVOUS AND/OR RESPIRATORY FAILURE AFTER INTOXICATION WITH OPNA CENTRE NAT RECH SCIENT (FR) 2024-07-10 EP disclosed
US-20230203024-A1 THIAZOLOXIME AND OXAZOLOXIME DERIVATIVES AS REACTIVATORS OF ORGANOPHOSPHOROUS NERVE AGENT (OPNA)-INHIBITED HUMAN ACETYLCHOLINESTERASE FOR THE TREATMENT OF NERVOUS AND/OR RESPIRATORY FAILURE AFTER INTOXICATION WITH OPNA CENTRE NAT RECH SCIENT (FR) 2023-06-29 US disclosed
US-20230203024-A1 THIAZOLOXIME AND OXAZOLOXIME DERIVATIVES AS REACTIVATORS OF ORGANOPHOSPHOROUS NERVE AGENT (OPNA)-INHIBITED HUMAN ACETYLCHOLINESTERASE FOR THE TREATMENT OF NERVOUS AND/OR RESPIRATORY FAILURE AFTER INTOXICATION WITH OPNA CENTRE NAT RECH SCIENT (FR) 2023-06-29 US disclosed
WO-2021239695-A1 THIAZOLOXIME AND OXAZOLOXIME DERIVATIVES AS REACTIVATORS OF ORGANOPHOSPHOROUS NERVE AGENT (OPNA)-INHIBITED HUMAN ACETYLCHOLINESTERASE FOR THE TREATMENT OF NERVOUS AND/OR RESPIRATORY FAILURE AFTER INTOXICATION WITH OPNA CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-12-02 WO disclosed
EP-3915983-A1 PYRIDINE-THIAZOLE-OXIME AND PYRIDINE-OXAZOLE-OXIME DERIVATIVES AS REACTIVATORS OF ORGANOPHOSPHOROUS NERVE AGENT (OPNA)-INHIBITED HUMAN ACETYLCHOLINESTERASE FOR THE TREATMENT OF NERVOUS AND/OR RESPIRATORY FAILURE AFTER INTOXICATION WITH OPNA Centre National de la Recherche Scientifique (FR) 2021-12-01 EP 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-20230203024-A1 THIAZOLOXIME AND OXAZOLOXIME DERIVATIVES AS REACTIVATORS OF ORGANOPHOSPHOROUS NERVE AGENT (OPNA)-INHIBITED HUMAN ACETYLCHOLINESTERASE FOR THE TREATMENT OF NERVOUS AND/OR RESPIRATORY FAILURE AFTER INTOXICATION WITH OPNA ACHE, PYGB, HAO1 GRM5 3118/4885KCNH2 4337/4885ALDH1A1 132/4885

“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.