SCHEMBL23213326

SCHEMBL23213326

Cc1c(Cl)cc([N+](=O)[O-])cc1CC#N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
GPR35 Q9HC97 2/20 0.42
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
VCAM1 P19320 4/20 0.41
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TLR9 Q9NR96 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
SCHEMBL8819027 0.84 ALDH1A1 (0.58) ALDH1A1GPR35HPGDPOLBHTT
SCHEMBL11371659 0.84 ALDH1A1 (0.51) ALDH1A1GPR35HPGDPOLBHTT
SCHEMBL29716291 0.80 ALDH1A1 (0.52) ALDH1A1GPR35POLBHTTVCAM1
SCHEMBL23214233 0.80 ALDH1A1 (0.52) ALDH1A1GPR35POLBHTTVCAM1
SCHEMBL29739336 0.79 ALDH1A1 (0.50) ALDH1A1GPR35POLBHTTHSD17B10
SCHEMBL23213916 0.79 ALDH1A1 (0.50) ALDH1A1GPR35POLBHTTHSD17B10
SCHEMBL23213627 0.79 ALDH1A1 (0.50) ALDH1A1GPR35POLBHTTVCAM1
SCHEMBL2814311 0.78 ALDH1A1 (0.53) ALDH1A1GPR35HPGDPOLBHTT
SCHEMBL2816017 0.78 VCAM1 (0.58) ALDH1A1HPGDVCAM1HSD17B10LMNA
SCHEMBL30127086 0.78 HSD17B10 (0.55) ALDH1A1HPGDVCAM1HSD17B10LMNA

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 ALDH1A1 4150/4885GPR35 4234/4885HPGD 3614/4885
US-20220242846-A1 ISOINDOLINONE COMPOUNDS AOC2, AOC3, INF2 ALDH1A1 1331/4885GPR35 4300/4885HPGD 2148/4885

“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.