SCHEMBL2531978

SCHEMBL2531978

CC(C)(C)NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 3/20 0.65
CACNA1G O43497 3/20 0.63
CACNA1H O95180 3/20 0.63
MALT1 Q9UDY8 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CNR1 P21554 2/20 0.60
CNR2 P34972 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.54
RIPK1 Q13546 1/20 0.53
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
BCL2 P10415 1/20 0.51
MDM2 Q00987 1/20 0.51
MCL1 Q07820 1/20 0.51

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
SCHEMBL695352 0.79 RPA1 (1.00) RPA1CACNA1GCACNA1HMEN1KMT2A
SCHEMBL13239857 0.79 RPA1 (0.70) RPA1CACNA1GCACNA1HMALT1MEN1
SCHEMBL5527685 0.78 CNR1 (0.44) RPA1CACNA1GCACNA1HMALT1MEN1
SCHEMBL5518176 0.78 CNR1 (0.46) RPA1CACNA1GCACNA1HMALT1MEN1
SCHEMBL5529778 0.78 CNR1 (0.52) RPA1CACNA1GCACNA1HMALT1MEN1
SCHEMBL22748927 0.77 RPA1 (0.77) RPA1CACNA1GCACNA1HMALT1MEN1
SCHEMBL2487176 0.77 RPA1 (0.77) RPA1CACNA1GCACNA1HMALT1MEN1
SCHEMBL5523089 0.77 CNR1 (0.53) CACNA1GCACNA1HMALT1MEN1KMT2A
SCHEMBL5531835 0.77 CNR1 (0.51) RPA1CACNA1GCACNA1HMALT1MEN1
Hydrochloric Acid SCHEMBL6315490 0.76 RPA1 (0.62) RPA1CACNA1GCACNA1HMALT1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 US claimed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 US disclosed
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 US disclosed
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 US disclosed
WO-2007087424-A2 METHOD OF TREATING KCNQ RELATED DISORDERS USING ORGANOZINC COMPOUNDS THE JOHNS HOPKINS UNIVERSITY (US) 2007-08-02 WO disclosed
WO-2007087424-A2 METHOD OF TREATING KCNQ RELATED DISORDERS USING ORGANOZINC COMPOUNDS THE JOHNS HOPKINS UNIVERSITY (US) 2007-08-02 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-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds KCNQ3, KCNQ1, KCNQ5 RPA1 4882/4885CACNA1G 77/4885CACNA1H 86/4885

“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.