SCHEMBL263846

SCHEMBL263846

Cc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)sc1CCO[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
PTGS1 P23219 3/20 0.39
MEN1 O00255 2/20 0.39
PTGS2 P35354 2/20 0.39
KMT2A Q03164 2/20 0.39
FABP2 P12104 1/20 0.39
TSHR P16473 1/20 0.39
AKR1C4 P17516 1/20 0.39
ADRA2B P18089 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2C P28335 1/20 0.39
DRD3 P35462 1/20 0.39
AKR1C1 Q04828 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL263985 0.84 PTGS1 (0.40) PTGS1MEN1PTGS2KMT2ADRD3
SCHEMBL280317 0.83 AKR1C3 (0.41) AKR1C3AKR1C2PTGS1MEN1PTGS2
SCHEMBL264057 0.79 PTGS1 (0.48) PTGS1MEN1PTGS2KMT2AMAPT
SCHEMBL263948 0.78 COPS5 (0.40) AKR1C3AKR1C2PTGS1PTGS2TSHR
SCHEMBL263866 0.78 COPS5 (0.40) AKR1C3AKR1C2PTGS1PTGS2TSHR
SCHEMBL263963 0.76 PTGS2 (0.42) AKR1C3AKR1C2PTGS1PTGS2TSHR
SCHEMBL259774 0.73 PTGS1 (0.39) PTGS1MEN1PTGS2KMT2ALMNA
SCHEMBL260042 0.73 TP53 (0.49) LMNAMAPT
SCHEMBL259132 0.72
SCHEMBL259807 0.72 FFAR1 (0.47) PTGS2HTR2CLMNAMAPT

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 8 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-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 AKR1C3 513/4885AKR1C2 585/4885PTGS1 20/4885

“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.