SCHEMBL21020174

SCHEMBL21020174

C[C@@H](CN1CCCc2cccc(I)c2C1)NC(=O)CNO

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CARM1 Q86X55 4/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PSMB5 P28074 1/20 0.36
LMNA P02545 2/20 0.35
PRMT5 O14744 4/20 0.35
NPC1 O15118 1/20 0.35
WDR77 Q9BQA1 3/20 0.35
POLB P06746 2/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL21021800 0.94 MEN1 (0.43) MAPTMEN1KMT2AL3MBTL1CARM1
SCHEMBL21020774 0.92 CARM1 (0.43) MAPTMEN1KMT2AL3MBTL1CARM1
SCHEMBL21020837 0.87 MEN1 (0.43) MAPTMEN1KMT2AL3MBTL1CARM1
SCHEMBL21021406 0.86 HDAC1 (0.44) MAPTHDAC1HDAC6LMNAPRMT5
SCHEMBL21020889 0.86 MEN1 (0.39) MAPTMEN1KMT2AL3MBTL1CARM1
SCHEMBL21020840 0.86 MEN1 (0.37) MAPTMEN1KMT2AL3MBTL1CARM1
SCHEMBL21020899 0.85 PSMB5 (0.40) MAPTMEN1KMT2AL3MBTL1CARM1
SCHEMBL21020216 0.84 DRD2 (0.39) MAPTMEN1KMT2AL3MBTL1CARM1
SCHEMBL21020197 0.84 ACACB (0.44) MEN1KMT2AL3MBTL1PRMT5WDR77
SCHEMBL21020893 0.83 CARM1 (0.34) MAPTMEN1KMT2AL3MBTL1CARM1

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 MAPT 1292/4885MEN1 4112/4885KMT2A 1168/4885
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 MAPT 1292/4885MEN1 4112/4885KMT2A 1168/4885

“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.