SCHEMBL264079

SCHEMBL264079

Cc1nc(C(=O)Nc2cccnc2)sc1CCO[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
NAMPT P43490 8/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
LMNA P02545 1/20 0.41
CISD2 Q8N5K1 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
SCHEMBL278143 0.84 NAMPT (0.46) NAMPTNPC1RAB9AMAPTTRPV1
SCHEMBL260251 0.80 TP53 (0.57) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL260409 0.78 MAPT (0.51) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL259210 0.74 GAA (0.34) KMT2ARAB9AMAPT
SCHEMBL260520 0.74 MEN1 (0.39) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL264147 0.73 RAB9A (0.44) L3MBTL1MEN1CYP2C9ALOX15CYP2C19
SCHEMBL2635781 0.73 ALDH1A1 (0.32) MAPT
SCHEMBL260358 0.72 PTGS2 (0.38) ALOX15KMT2AHSD17B10RAB9AMAPT
SCHEMBL2058950 0.72 CYP2C19 (0.38) L3MBTL1MEN1CYP2C9ALOX15CYP2C19
SCHEMBL259114 0.72 LMNA (0.49) MEN1CYP2C9ALOX15CYP2C19KMT2A

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-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-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-7368577-B2 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-05-06 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 (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-20070021382-A1 Nitric oxide donors and uses thereof NOS2, NOS1, NOS3 L3MBTL1 3074/4885MEN1 2110/4885CYP2C9 60/4885

“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.