SCHEMBL20987115

SCHEMBL20987115

NCCN1C=CC=Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
SCN4A P35499 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
GRIN2B Q13224 3/20 0.33
HTR2A P28223 2/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
PIM1 P11309 1/20 0.32
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL1989267 0.80 MEN1 (0.42) MAPK1LMNAHTR1AP2RX4P2RX1
SCHEMBL9030962 0.79 MAPT (0.38) MAPK1LMNATSHRSCN4ASCN5A
SCHEMBL9030241 0.76 P2RX4 (0.37) MAPK1LMNACHRM1SIGMAR1P2RX4
SCHEMBL11534924 0.75 KMT2A (0.41) MAPK1LMNATSHRSCN4ASCN5A
SCHEMBL1462848 0.75 TSHR (0.32) MAPK1LMNATSHRSCN4ASCN5A
SCHEMBL1249047 0.75 P2RX4 (0.31) MAPK1LMNATSHRSCN4ASCN5A
SCHEMBL1133635 0.74 P2RX4 (0.41) MAPK1LMNATSHRSCN4ASCN5A
SCHEMBL27769491 0.73 SLC6A1 (0.37) MAPK1LMNATSHRSCN4ASCN5A
Hydrochloric Acid SCHEMBL3122652 0.73 P2RX4 (0.40) MAPK1LMNATSHRSCN4ASCN5A
Hydrochloric Acid SCHEMBL29383470 0.73 P2RX4 (0.40) MAPK1LMNATSHRSCN4ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186548-B2 Compounds for central reactivation of organophosphorus-based compound-inhibited acetylcholinesterase and/or inactivation of organophosphorus-based acetylcholinesterase inhibitors and related compositions methods and systems for making and using them LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2021-11-30 US disclosed
US-20190152920-A1 COMPOUNDS FOR CENTRAL REACTIVATION OF ORGANOPHOSPHORUS- BASED COMPOUND-INHIBITED ACETYLCHOLINESTERASE AND/OR INACTIVATION OF ORGANOPHOSPHORUS-BASED ACETYLCHOLINESTERASE INHIBITORS AND RELATED COMPOSITIONS METHODS AND SYSTEMS FOR MAKING AND USING THEM U.S. DEPARTMENT OF ENERGY 2019-05-23 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-20190152920-A1 COMPOUNDS FOR CENTRAL REACTIVATION OF ORGANOPHOSPHORUS- BASED COMPOUND-INHIBITED ACETYLCHOLINESTERASE AND/OR INACTIVATION OF ORGANOPHOSPHORUS-BASED ACETYLCHOLINESTERASE INHIBITORS AND RELATED COMPOSITIONS METHODS AND SYSTEMS FOR MAKING AND USING THEM ACHE, BCHE, CHAT MAPK1 4072/4885LMNA 2309/4885TSHR 2845/4885
US-11186548-B2 Compounds for central reactivation of organophosphorus-based compound-inhibited acetylcholinesterase and/or inactivation of organophosphorus-based acetylcholinesterase inhibitors and related compositions methods and systems for making and using them ACHE, BCHE, CHAT MAPK1 4072/4885LMNA 2309/4885TSHR 2845/4885

“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.