SCHEMBL263985

SCHEMBL263985

Cc1nc(C(C)c2ccccc2)sc1CCO[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.34
HRH2 P25021 9/20 0.33
HRH1 P35367 6/20 0.33
HRH4 Q9H3N8 6/20 0.33
HRH3 Q9Y5N1 6/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
GSR P00390 1/20 0.33
COMT P21964 3/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL264057 0.90 PTGS1 (0.48) PTGS1PTGS2KMT2AGAAMEN1
SCHEMBL263963 0.86 PTGS2 (0.42) PTGS1PTGS2
SCHEMBL263846 0.84 AKR1C3 (0.40) PTGS1PTGS2KMT2ADRD3MEN1
SCHEMBL259774 0.83 PTGS1 (0.39) PTGS1PTGS2KMT2AHRH2HRH1
SCHEMBL259132 0.82
SCHEMBL263866 0.82 COPS5 (0.40) PTGS1PTGS2MAPTL3MBTL1
SCHEMBL263948 0.82 COPS5 (0.40) PTGS1PTGS2MAPTL3MBTL1
SCHEMBL259444 0.81 PTGS1 (0.39) PTGS1PTGS2SLC6A3KMT2AGAA
SCHEMBL264043 0.81 GAA (0.33) PTGS1PTGS2SLC6A3GAAHRH2
SCHEMBL2058950 0.79 CYP2C19 (0.38) PTGS1PTGS2SLC6A3KMT2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134010-B2 4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenylamine; N-{4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenyl}-acetamide; or4-Methyl-5-(2-nitrooxy-ethyl)-2-(4-nitro-phenyl)-thiazole; cardiovascular, gastrointestinal, inflammatory, respiratory disease RENOPHARM LTD. (IL) 2012-03-13 US disclosed
US-7968575-B2 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2011-06-28 US disclosed
US-7579477-B2 Thiazole-based nitric oxide donors having alkyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2009-08-25 US disclosed
US-7498445-B2 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof RENOPHARM LTD. (IL) 2009-03-03 US disclosed
US-7368577-B2 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-05-06 US disclosed
US-7332513-B2 Thiazole-based nitric oxide donors having acyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-02-19 US disclosed
US-7189750-B2 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof RENOPHARM LTD. (IL) 2007-03-13 US disclosed
US-20070021382-A1 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2007-01-25 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-20070021382-A1 Nitric oxide donors and uses thereof NOS2, NOS1, NOS3 PTGS1 20/4885PTGS2 40/4885SLC6A3 829/4885

“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.