SCHEMBL22914949

SCHEMBL22914949

Cc1c(O)cccc1N=[N+]=[N-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.34
RECQL P46063 2/20 0.34
POLB P06746 1/20 0.34
MPI P34949 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
F2R P25116 1/20 0.33
CYP3A4 P08684 1/20 0.32
CA2 P00918 2/20 0.32
ADAMTS4 O75173 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL16774460 0.85 CYP3A4 (0.43) F2RCYP3A4SIGMAR1
SCHEMBL15373349 0.79 TRPA1 (0.38) TRPA1ATMMAPTLMNANPC1
SCHEMBL14028816 0.79 MAPT (0.54) ATMKDM4EMAPTLMNAMEN1
SCHEMBL29364590 0.79 MAPT (0.54) ATMKDM4EMAPTLMNAMEN1
SCHEMBL22914960 0.76 TSHR (0.45) KDM4EMAPTLMNAMEN1NPC1
SCHEMBL20489081 0.76 G6PD (0.38) KDM4EMAPTLMNAMEN1NPC1
SCHEMBL22914956 0.76 LMNA (0.37) KDM4EMAPTLMNAMEN1NPC1
SCHEMBL20539343 0.76 ALDH1A1 (0.33) ALDH1A1F2RCYP3A4
SCHEMBL20484689 0.76 ALDH1A1 (0.50) TRPA1ATMKDM4EMAPTMEN1
SCHEMBL27916853 0.76 POLB (0.46) KDM4EMAPTLMNAMEN1NPC1

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
US-12398110-B2 Second generation inhibitors of mitochondrial permeability transition pore with improved plasma stability OREGON HEALTH & SCIENCE UNIVERSITY (US) 2025-08-26 US disclosed
US-20220289690-A1 SECOND GENERATION INHIBITORS OF MITOCHONDRIAL PERMEABILITY TRANSITION PORE WITH IMPROVED PLASMA STABILITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2022-09-15 US disclosed
EP-4003009-A1 SECOND GENERATION INHIBITORS OF MITOCHONDRIAL PERMEABILITY TRANSITION PORE WITH IMPROVED PLASMA STABILITY Oregon Health & Science University (US) 2022-06-01 EP disclosed
WO-2021016594-A1 SECOND GENERATION INHIBITORS OF MITOCHONDRIAL PERMEABILITY TRANSITION PORE WITH IMPROVED PLASMA STABILITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-01-28 WO disclosed
WO-2021016594-A1 SECOND GENERATION INHIBITORS OF MITOCHONDRIAL PERMEABILITY TRANSITION PORE WITH IMPROVED PLASMA STABILITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-01-28 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 (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-20220289690-A1 SECOND GENERATION INHIBITORS OF MITOCHONDRIAL PERMEABILITY TRANSITION PORE WITH IMPROVED PLASMA STABILITY TIMM13, MTCH2, AFG3L2 TRPA1 1260/4885ATM 4141/4885KDM4E 4629/4885
US-12398110-B2 Second generation inhibitors of mitochondrial permeability transition pore with improved plasma stability TIMM13, MTCH2, AFG3L2 TRPA1 1260/4885ATM 4141/4885KDM4E 4629/4885

“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.