SCHEMBL7921682

SCHEMBL7921682

O=[N+]([O-])c1cnccc1S

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HTT P42858 6/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.43
CHUK O15111 1/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
HIPK2 Q9H2X6 1/20 0.37
MAPK1 P28482 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
SCHEMBL8565703 0.83 ALDH1A1 (0.45) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL8568179 0.80 ALDH1A1 (0.53) ALDH1A1HTTRAB9AMAPTMEN1
Ethylene SCHEMBL27749127 0.77 ALDH1A1 (0.50) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL12343951 0.76 ALDH1A1 (0.46) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL1085604 0.75 ALDH1A1 (0.57) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL2602389 0.75 ALDH1A1 (0.54) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL319309 0.75 ALDH1A1 (0.49) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL227454 0.75 ALDH1A1 (0.49) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL56332 0.75 ALDH1A1 (0.49) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL10734254 0.75 ALDH1A1 (0.49) ALDH1A1HTTRAB9AMAPTMEN1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 US disclosed
EP-3676266-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY Ctxt Pty Ltd (AU) 2020-07-08 EP disclosed
WO-2019043139-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY CTXT PTY LIMITED (AU) 2019-03-07 WO disclosed
EP-1789391-B1 BIVALENT LINKERS AND CONJUGATES THEREOF ENDOCYTE INC (US) 2017-06-28 EP disclosed
EP-2129224-B1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS INC (US) 2016-03-30 EP disclosed
US-9156832-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-9156832-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-20150065492-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS INC (US) 2015-03-05 US disclosed
US-20150065492-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS INC (US) 2015-03-05 US disclosed
US-8765741-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
WO-2008124450-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
EP-0932405-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORP (US) 2001-10-17 EP disclosed
US-6218539-B1 PHENYL UREAS SMITHKLINE BEECHAM CORPORATION 2001-04-17 US disclosed
EP-0932405-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-04 EP disclosed
WO-1997049400-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO disclosed
US-4748172-A 3-bicyclicpyridinium-methyl cephalosporins ELI LILLY AND COMPANY (US) 1988-05-31 US disclosed
US-4692443-A 3-bicyclicpyridinium-methyl cephalosporins ELI LILLY AND COMPANY (US) 1987-09-08 US disclosed
EP-0138552-A2 Improvements on or relating to 3-bicyclicpyridinium-methyl cephalosporins ELI LILLY AND COMPANY (US) 1985-04-24 EP disclosed
US-4451650-A ANTITUMOR AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1984-05-29 US disclosed
EP-0107130-A1 Pyrido(4,3-b)(1,4) oxazines and pyrido(4,3-b) (1,4)thiazines Southern Research Institute (US) 1984-05-02 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-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family KAT5, KAT6A, KAT2A ALDH1A1 2920/4885HTT 1042/4885RAB9A 3489/4885
US-20150065492-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS HAVCR2, PYGL, HCCS ALDH1A1 417/4885HTT 3609/4885RAB9A 2493/4885

“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.