SCHEMBL23213827

SCHEMBL23213827

Cc1cc([N+](=O)[O-])cc(CN2CCOCC2)c1C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.60
KCNJ1 P48048 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.49
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP2A13 Q16696 1/20 0.47
ATM Q13315 1/20 0.44
NSD2 O96028 1/20 0.44

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
SCHEMBL29716254 1.00 CTSB (0.60) CTSBKCNJ1ALDH1A1MAPTLMNA
SCHEMBL29739612 0.86 CTSB (0.57) CTSBKCNJ1ALDH1A1MAPTLMNA
SCHEMBL29739421 0.86 CTSB (0.57) CTSBKCNJ1ALDH1A1MAPTLMNA
SCHEMBL23213590 0.86 CTSB (0.57) CTSBKCNJ1ALDH1A1MAPTLMNA
SCHEMBL29177411 0.86 CTSB (0.57) CTSBKCNJ1ALDH1A1MAPTLMNA
SCHEMBL17979926 0.83 CTSB (0.71) CTSBKCNJ1ALDH1A1MAPTLMNA
SCHEMBL2573641 0.83 CTSB (0.67) CTSBKCNJ1ALDH1A1MAPTLMNA
SCHEMBL2015799 0.82 CTSB (0.52) CTSBKCNJ1ALDH1A1MAPTLMNA
SCHEMBL23213353 0.80 KCNJ1 (0.54) CTSBKCNJ1ALDH1A1MAPTLMNA
SCHEMBL29177439 0.80 KCNJ1 (0.52) CTSBKCNJ1ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
EP-4313047-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS Monte Rosa Therapeutics, Inc. (US) 2024-02-07 EP disclosed
WO-2022200857-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2022-09-29 WO disclosed
EP-4041231-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics AG (CH) 2022-08-17 EP disclosed
US-20220242846-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2022-08-04 US disclosed
WO-2021069705-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS (CH) 2021-04-15 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-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS UPF1, NSUN2, RTF2 CTSB 3089/4885KCNJ1 1930/4885ALDH1A1 4150/4885
US-20220242846-A1 ISOINDOLINONE COMPOUNDS AOC2, AOC3, INF2 CTSB 3538/4885KCNJ1 193/4885ALDH1A1 1331/4885

“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.