SCHEMBL25811421

SCHEMBL25811421

CC1=C(C)C(S(=O)(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.46
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
PTPRC P08575 3/20 0.41
CA2 P00918 3/20 0.41
ACHE P22303 3/20 0.41
S100A4 P26447 2/20 0.41
CA5A P35218 1/20 0.41
BCHE P06276 1/20 0.41
CES1 P23141 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CA1 P00915 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39

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
SCHEMBL25812882 0.81 ELANE (0.39) KMT2ACA2LMNACA1MMP2
SCHEMBL25812739 0.79 NAT1 (0.38) KMT2AHTTPTPRCCA2S100A4
SCHEMBL25811432 0.77 HTR6 (0.36) GAACA2CA5ACA1CA12
SCHEMBL25811437 0.76 NAT1 (0.35) PTGS2KMT2ACA2L3MBTL1CA1
SCHEMBL27516874 0.67 GAA (0.43) PTGS2KMT2AGAAHTTCA2
SCHEMBL7132538 0.66 GAA (0.42) PTGS2KMT2AGAAHTTCA2
SCHEMBL8866719 0.65 KMT2A (0.53) PTGS2KMT2AGAAHTTCA2
SCHEMBL3477247 0.65 KMT2A (0.89) KMT2AGAAHTTCA2CA5A
SCHEMBL28773331 0.64 KMT2A (0.80) KMT2AGAAHTTCA2CA5A
SCHEMBL5559803 0.64 ALDH1A1 (0.64) KMT2AGAAHTTCA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218573-A1 INDOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES GALYAN BIO INC (US) 2023-07-13 US 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-20230218573-A1 INDOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES HTT, HYPK, PARK7 PTGS2 4026/4885KMT2A 981/4885GAA 80/4885

“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.