SCHEMBL279956

SCHEMBL279956

CCCCCCCCCCCCCCCC(=O)Nc1nc(C)c(CCON(O)O)s1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.45
ALDH1A1 P00352 10/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 12/20 0.43
MEN1 O00255 9/20 0.43
KMT2A Q03164 9/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALOX12 P18054 1/20 0.43
GAA P10253 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.41
PDE5A O76074 1/20 0.41
CFTR P13569 1/20 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
SCHEMBL14294205 0.84 ALDH1A1 (0.36) ALDH1A1NPSR1HPGD
SCHEMBL14210095 0.83 RAB9A (0.42) ATAD2ALDH1A1RXFP1KDM4EMAPT
SCHEMBL260758 0.82 ATAD2 (0.43) ATAD2ALDH1A1RXFP1KDM4EMAPT
SCHEMBL280395 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL280450 0.80 ALDH1A1 (0.48) ALDH1A1HPGD
SCHEMBL280279 0.80 BCHE (0.42) ATAD2ALDH1A1MEN1KMT2ALMNA
SCHEMBL279767 0.76 ITGB3 (0.32) ALDH1A1GAA
SCHEMBL280302 0.76 ITGB3 (0.32) ALDH1A1
SCHEMBL279877 0.75 ALDH1A1 (0.34) ALDH1A1MAPTGAA
SCHEMBL12646852 0.74 ITGB3 (0.43) ATAD2ALDH1A1HPGD

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-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

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-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof NOS2, NOS1, SQOR ATAD2 1380/4885ALDH1A1 240/4885RXFP1 1473/4885

“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.