SCHEMBL259358

SCHEMBL259358

CC(=O)Oc1ccccc1C(=O)Nc1nc(C)c(CCO[N+](=O)[O-])s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.55
NPC1 O15118 9/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
ALDH1A1 P00352 6/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
HSD17B10 Q99714 4/20 0.55
PKM P14618 4/20 0.55
TP53 P04637 3/20 0.55
NPSR1 Q6W5P4 3/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 2/20 0.55
MLNR O43193 1/20 0.55
NR1I2 O75469 1/20 0.55
ABCB11 O95342 1/20 0.55
LMNA P02545 1/20 0.55
ADRB2 P07550 1/20 0.55
CHRM2 P08172 1/20 0.55
ADRB1 P08588 1/20 0.55
CYP3A4 P08684 1/20 0.55

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
SCHEMBL6273441 0.85 RAB9A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL14268111 0.85 RAB9A (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL280252 0.84 RAB9A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL259359 0.79 PTGS2 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL260907 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL260776 0.78 GAA (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL259332 0.77 ITGB3 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL260251 0.77 TP53 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL14599311 0.76 RAB9A (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL259531 0.75 NPC1 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1

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 25 patents — showing the first 20. 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-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-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-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-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2008-09-25 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
EP-1753734-A1 NITRIC OXIDE DONORS AND USES THEREOF RENOPHARM LTD. (IL) 2007-02-21 EP disclosed
US-20070021382-A1 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2007-01-25 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
WO-2005105765-A1 NITRIC OXIDE DONORS AND USES THEREOF RENOPHARM LTD. (IL) 2005-11-10 WO 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 RAB9A 4299/4885NPC1 1164/4885SMN1; SMN2 1627/4885
US-20060183912-A1 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof NOS2, NOS1, NOS3 RAB9A 3306/4885NPC1 1077/4885SMN1; SMN2 1559/4885
US-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof NOS2, NOS1, NOS3 RAB9A 2959/4885NPC1 1020/4885SMN1; SMN2 1666/4885
US-20060183913-A1 Thiazole-based nitric oxide donors having acyl substuent(s) and uses thereof NOS2, NOS1, SQOR RAB9A 4299/4885NPC1 1164/4885SMN1; SMN2 1627/4885
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof NOS2, NOS1, NOS3 RAB9A 3080/4885NPC1 1163/4885SMN1; SMN2 1278/4885
US-20070021382-A1 Nitric oxide donors and uses thereof NOS2, NOS1, NOS3 RAB9A 2424/4885NPC1 1209/4885SMN1; SMN2 1120/4885
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof NOS1, NOS2, NOS3 RAB9A 4428/4885NPC1 1041/4885SMN1; SMN2 1350/4885

“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.