SCHEMBL260251

SCHEMBL260251

Cc1nc(NC(=O)c2cccnc2)sc1CCO[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 4/20 0.52
POLB P06746 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
CHRM4 P08173 1/20 0.51
SCD O00767 2/20 0.47
RAB9A P51151 6/20 0.46
NPC1 O15118 6/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CHRM5 P08912 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL279370 0.84 TP53 (0.59) TP53KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL259827 0.83 TP53 (0.62) TP53KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL259531 0.82 NPC1 (0.43) TP53KMT2AMEN1CYP2C9ALDH1A1
SCHEMBL259332 0.81 ITGB3 (0.48) KMT2AMEN1CYP2C9CYP2C19HSD17B10
SCHEMBL264079 0.80 L3MBTL1 (0.47) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL260776 0.80 GAA (0.55) TP53KMT2AMEN1ALOX15HSD17B10
SCHEMBL264147 0.80 RAB9A (0.44) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL14268111 0.79 RAB9A (0.55) TP53KMT2AMEN1ALOX15HSD17B10
SCHEMBL260907 0.78 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL6273441 0.77 RAB9A (0.47) TP53KMT2AMEN1ALOX15HSD17B10

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968575-B2 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2011-06-28 US claimed
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
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
WO-2005105065-A2 THIAZOLE-BASED NITRIC OXIDE DONORS FOR TREATING INFLAMMATORY BOWEL DISEASES 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 TP53 4221/4885KMT2A 1975/4885MEN1 2443/4885
US-20060183912-A1 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof NOS2, NOS1, NOS3 TP53 3723/4885KMT2A 3145/4885MEN1 1802/4885
US-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof NOS2, NOS1, NOS3 TP53 4134/4885KMT2A 2571/4885MEN1 2519/4885
US-20060183913-A1 Thiazole-based nitric oxide donors having acyl substuent(s) and uses thereof NOS2, NOS1, SQOR TP53 4221/4885KMT2A 1975/4885MEN1 2443/4885
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof NOS2, NOS1, NOS3 TP53 3943/4885KMT2A 3551/4885MEN1 1657/4885
US-20070021382-A1 Nitric oxide donors and uses thereof NOS2, NOS1, NOS3 TP53 4585/4885KMT2A 2960/4885MEN1 2110/4885
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof NOS1, NOS2, NOS3 TP53 3414/4885KMT2A 2758/4885MEN1 2354/4885

“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.