SCHEMBL22280411

SCHEMBL22280411

Nc1ccc([N+](=O)[O-])c(SCc2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 5/20 0.52
GSTP1 P09211 2/20 0.50
GSTM2 P28161 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
EGFR P00533 1/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
CTSB P07858 2/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GSR P00390 1/20 0.42
TXNRD1 Q16881 1/20 0.42
SCN9A Q15858 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41

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
SCHEMBL22280430 0.86 MEN1 (0.62) MEN1KMT2AALDH1A1GSTP1GSTM2
SCHEMBL20476789 0.80 MEN1 (0.58) MEN1KMT2AALDH1A1GSTP1GSTM2
SCHEMBL22264083 0.80 MEN1 (0.58) MEN1KMT2AALDH1A1GSTP1GSTM2
SCHEMBL11197168 0.79 SMN1; SMN2 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL21623731 0.77 MEN1 (0.51) MEN1KMT2AALDH1A1GSTP1GSTM2
SCHEMBL30498938 0.77 MEN1 (1.00) MEN1KMT2AALDH1A1GSTP1GSTM2
SCHEMBL393514 0.77 MEN1 (1.00) MEN1KMT2AALDH1A1GSTP1GSTM2
SCHEMBL11409450 0.72 GSTP1 (0.54) MEN1KMT2AALDH1A1GSTP1GSTM2
SCHEMBL11483285 0.72 MEN1 (0.49) MEN1KMT2AALDH1A1GSTP1GSTM2
SCHEMBL30468979 0.72 MEN1 (0.49) MEN1KMT2AALDH1A1GSTP1GSTM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119348-A1 HYDROCARBYLSULFONYL-SUBSTITUTED PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER OBLIQUE THERAPEUTICS AB (SE) 2022-04-21 US disclosed
US-11161815-B2 Hydrocarbylsulfonyl-substituted pyridines and their use in the treatment of cancer OBLIQUE THERAPEUTICS AB (SE) 2021-11-02 US disclosed
US-20200239417-A1 HYDROCARBYLSULFONYL-SUBSTITUTED PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER OBLIQUE THERAPEUTICS AB (SE) 2020-07-30 US disclosed
CN-110382464-A The pyridine and its purposes in cancer treatment that alkylsulfonyl replaces 欧比力克治疗公司 2019-10-25 CN 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 (3 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-20200239417-A1 HYDROCARBYLSULFONYL-SUBSTITUTED PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER HCCS, ABL1, IDH1 MEN1 692/4885KMT2A 265/4885ALDH1A1 168/4885
US-20220119348-A1 HYDROCARBYLSULFONYL-SUBSTITUTED PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER HCCS, ABL1, IDH1 MEN1 692/4885KMT2A 265/4885ALDH1A1 168/4885
US-11161815-B2 Hydrocarbylsulfonyl-substituted pyridines and their use in the treatment of cancer HCCS, ABL1, IDH1 MEN1 692/4885KMT2A 265/4885ALDH1A1 168/4885

“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.