SCHEMBL24061998

SCHEMBL24061998

O/N=C\c1csc(C#Cc2cccnc2)n1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.59
CYP2D6 P10635 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 5/20 0.44
CYP2C9 P11712 3/20 0.38
CYP2B6 P20813 3/20 0.38
CYP2C19 P33261 3/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CYP2E1 P05181 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C8 P10632 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
SCHEMBL25714637 1.00 GRM5 (0.59) GRM5CYP2D6CYP1A2CYP2A6CYP2C9
Hydrochloric Acid SCHEMBL30292866 0.99 GRM5 (0.58) GRM5CYP2D6CYP1A2CYP2A6CYP2C9
Hydrochloric Acid SCHEMBL30292857 0.99 GRM5 (0.58) GRM5CYP2D6CYP1A2CYP2A6CYP2C9
SCHEMBL24075982 0.85 GRM5 (0.54) GRM5CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL25714677 0.85 GRM5 (0.54) GRM5CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL25714648 0.83 GRM5 (0.41) GRM5
SCHEMBL24061980 0.83 GRM5 (0.41) GRM5
SCHEMBL24061982 0.79 USP2 (0.38) GRM5CYP2D6CYP1A2CYP2A6CHRNB2
SCHEMBL25714639 0.79 USP2 (0.38) GRM5CYP2D6CYP1A2CYP2A6CHRNB2
Hydrochloric Acid SCHEMBL30292825 0.78 USP2 (0.38) GRM5CYP2D6CYP1A2CYP2A6CHRNB2

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 8 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
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
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
EP-4157838-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) 2023-04-05 EP 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 3118/4885CYP2D6 1223/4885CYP1A2 1139/4885

“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.