SCHEMBL23213625

SCHEMBL23213625

Cn1ccc(C(=O)N=[N+]=[N-])n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 9/20 0.39
RAB9A P51151 9/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 1/20 0.38
GABRA1 P14867 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL27326239 0.74 SMN1; SMN2 (0.50) SMN1; SMN2POLBTSHRNPC1RAB9A
SCHEMBL263713 0.72
SCHEMBL169063 0.71
Hydrochloric Acid SCHEMBL23012132 0.71 TSHR (0.50) SMN1; SMN2POLBTSHRNPC1RAB9A
SCHEMBL166439 0.71
SCHEMBL17966681 0.71 TSHR (0.50) SMN1; SMN2POLBTSHRNPC1RAB9A
SCHEMBL28515093 0.69 KDM4E (0.46) SMN1; SMN2POLBTSHRNPC1RAB9A
Lithium Ion SCHEMBL17966682 0.69 SMN1; SMN2 (0.46) SMN1; SMN2POLBTSHRNPC1RAB9A
Hydrochloric Acid SCHEMBL1081474 0.69 SMN1; SMN2 (0.46) SMN1; SMN2POLBTSHRNPC1RAB9A
SCHEMBL22346658 0.68 HDAC1 (0.35) SMN1; SMN2POLBTSHRNPC1RAB9A

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 7 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
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 SMN1; SMN2 187/4885POLB 595/4885TSHR 1410/4885
US-20220242846-A1 ISOINDOLINONE COMPOUNDS AOC2, AOC3, INF2 SMN1; SMN2 2675/4885POLB 3585/4885TSHR 1677/4885

“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.