SCHEMBL259775

SCHEMBL259775

Cc1nc(NC(=O)CCCC2CCSS2)sc1CCO[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 7/20 0.38
PTPN2 P17706 7/20 0.38
PTPN1 P18031 7/20 0.38
ATAD2 Q6PL18 1/20 0.38
BCHE P06276 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
TARDBP Q13148 2/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
CYP2C9 P11712 1/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.34
ACHE P22303 1/20 0.34
APEX1 P27695 1/20 0.34

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
SCHEMBL259128 0.97 PTPRF (0.41) PTPRFPTPN2PTPN1ATAD2BCHE
SCHEMBL280279 0.83 BCHE (0.42) PTPRFPTPN2PTPN1ATAD2BCHE
SCHEMBL259625 0.80 HSD17B10 (0.34) KMT2AALDH1A1HSD17B10TARDBPMEN1
SCHEMBL260758 0.80 ATAD2 (0.43) ATAD2KMT2AALDH1A1MEN1LMNA
SCHEMBL264227 0.77 MAPT (0.43) ATAD2KMT2AALDH1A1HSD17B10MEN1
SCHEMBL260907 0.74 ALDH1A1 (0.46) KMT2AALDH1A1MEN1POLBLMNA
SCHEMBL263975 0.73 MAPT (0.36) ATAD2KMT2AALDH1A1HSD17B10MEN1
SCHEMBL261252 0.72 ITGB3 (0.33) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL259918 0.71 RAB9A (0.38) ALDH1A1LMNAMAPT
SCHEMBL263911 0.71 RAB9A (0.38) ALDH1A1LMNAMAPT

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 14 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
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
US-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2006-08-17 US disclosed
US-20060183913-A1 Thiazole-based nitric oxide donors having acyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2006-08-17 US disclosed
US-20060183912-A1 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof RENOPHARM LTD. (IL) 2006-08-17 US disclosed
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof RENOPHARM LTD. (IL) 2006-03-30 US disclosed
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2006-03-30 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 (7 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 PTPRF 2101/4885PTPN2 852/4885PTPN1 643/4885
US-20060183912-A1 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof NOS2, NOS1, NOS3 PTPRF 1734/4885PTPN2 847/4885PTPN1 826/4885
US-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof NOS2, NOS1, NOS3 PTPRF 1854/4885PTPN2 967/4885PTPN1 878/4885
US-20060183913-A1 Thiazole-based nitric oxide donors having acyl substuent(s) and uses thereof NOS2, NOS1, SQOR PTPRF 2101/4885PTPN2 852/4885PTPN1 643/4885
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof NOS2, NOS1, NOS3 PTPRF 2354/4885PTPN2 1053/4885PTPN1 1058/4885
US-20070021382-A1 Nitric oxide donors and uses thereof NOS2, NOS1, NOS3 PTPRF 3934/4885PTPN2 2557/4885PTPN1 2328/4885
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof NOS1, NOS2, NOS3 PTPRF 2378/4885PTPN2 647/4885PTPN1 427/4885

“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.