SCHEMBL260758

SCHEMBL260758

CCCCCCCCCCCCCCCC(=O)Nc1nc(C)c(CCO[N+](=O)[O-])s1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 10/20 0.42
MEN1 O00255 9/20 0.42
KMT2A Q03164 9/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 11/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALOX12 P18054 1/20 0.41
GAA P10253 4/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CFTR P13569 1/20 0.40
PDE5A O76074 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
SCHEMBL14268110 0.85 ALDH1A1 (0.35) LMNAALDH1A1NPSR1HPGD
SCHEMBL264227 0.84 MAPT (0.43) ATAD2LMNAALDH1A1MEN1KMT2A
SCHEMBL279956 0.82 ATAD2 (0.45) ATAD2LMNAALDH1A1MEN1KMT2A
SCHEMBL260893 0.82 ALDH1A1 (0.40) ALDH1A1MAPTHTTHPGDSMN1; SMN2
SCHEMBL260907 0.81 ALDH1A1 (0.46) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL259128 0.81 PTPRF (0.41) ATAD2LMNAALDH1A1MEN1KMT2A
SCHEMBL263975 0.80 MAPT (0.36) ATAD2LMNAALDH1A1MEN1KMT2A
SCHEMBL259775 0.80 PTPRF (0.38) ATAD2LMNAALDH1A1MEN1KMT2A
SCHEMBL260601 0.79 PSEN1 (0.40) LMNAALDH1A1MEN1KMT2ARXFP1
SCHEMBL261252 0.78 ITGB3 (0.33) LMNAALDH1A1MEN1KMT2AMAPT

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 10 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-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-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2008-09-25 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 (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-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof NOS2, NOS1, SQOR ATAD2 1380/4885LMNA 4210/4885ALDH1A1 240/4885
US-20070021382-A1 Nitric oxide donors and uses thereof NOS2, NOS1, NOS3 ATAD2 4244/4885LMNA 3973/4885ALDH1A1 475/4885

“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.