SCHEMBL8599154

SCHEMBL8599154

CCCCCS(=O)(=O)c1ncccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 12/20 0.61
GSR P00390 1/20 0.61
PAX8 Q06710 1/20 0.53
MEN1 O00255 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
VCAM1 P19320 1/20 0.42
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
XDH P47989 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
SCHEMBL18497232 0.82 TXNRD1 (0.56) TXNRD1GSRPAX8MEN1RAB9A
SCHEMBL28331489 0.81 TXNRD1 (0.62) TXNRD1GSRPAX8MEN1RAB9A
SCHEMBL8595936 0.80 PAX8 (0.50) TXNRD1GSRPAX8MEN1RAB9A
SCHEMBL8626897 0.80 PAX8 (0.50) TXNRD1GSRPAX8MEN1RAB9A
SCHEMBL28332927 0.78 TXNRD1 (0.60) TXNRD1GSRPAX8MEN1RAB9A
SCHEMBL8598745 0.78 TXNRD1 (0.45) TXNRD1GSRPAX8MEN1KMT2A
SCHEMBL22280431 0.76 TXNRD1 (1.00) TXNRD1GSRVCAM1
SCHEMBL8596381 0.76 TXNRD1 (0.49) TXNRD1GSRMEN1KMT2AVCAM1
SCHEMBL9453001 0.75 TXNRD1 (0.54) TXNRD1GSRMEN1KMT2AALDH1A1
SCHEMBL2362856 0.75 TXNRD1 (0.54) TXNRD1GSRMEN1KMT2AALDH1A1

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-10899710-B2 Pyridines and their use in the treatment of cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-01-26 US disclosed
US-20200087260-A1 PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER The USA, as Represented by the Secretary, Department pf Health and Human Services (US) 2020-03-19 US disclosed
EP-3331858-A1 PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER Arnér, Elias, Set Jenö (SE) 2018-06-13 EP disclosed
WO-2017027359-A1 PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-02-16 WO disclosed
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP 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-10899710-B2 Pyridines and their use in the treatment of cancer TP53, NDUFS3, NDUFS2 TXNRD1 585/4885GSR 182/4885PAX8 2406/4885
US-20200087260-A1 PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER TP53, NDUFS3, NDUFS2 TXNRD1 585/4885GSR 182/4885PAX8 2406/4885

“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.