SCHEMBL878321

SCHEMBL878321

NC(=O)N(S)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CRHBP P24387 1/20 0.47
ATM Q13315 1/20 0.47
CRHR2 Q13324 1/20 0.47
TLR9 Q9NR96 1/20 0.47
CES1 P23141 2/20 0.47
PLAU P00749 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
NOS1 P29475 2/20 0.44
MAPK1 P28482 2/20 0.44
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42

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
SCHEMBL725811 0.82 MAPT (0.32) TSHRALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL1177204 0.81 TSHR (0.57) TSHRLMNAGAAALDH1A1MEN1
SCHEMBL4162102 0.79 TSHR (0.55) TSHRLMNAGAAALDH1A1MEN1
SCHEMBL15994168 0.79 TSHR (0.55) TSHRLMNAGAAALDH1A1MEN1
SCHEMBL27850590 0.78 TSHR (0.53) TSHRLMNAGAAALDH1A1MEN1
SCHEMBL15659596 0.78 TSHR (0.53) TSHRLMNAGAAALDH1A1MEN1
Urea SCHEMBL27805729 0.77 TSHR (0.74) TSHRLMNAGAAALDH1A1MEN1
SCHEMBL11291473 0.75 ALDH1A1 (0.62) TSHRLMNAGAAALDH1A1MEN1
SCHEMBL5154818 0.75 ADRA2A (0.49) TSHRLMNAGAAALDH1A1MEN1
SCHEMBL3615251 0.74 ALDH1A1 (0.41) TSHRLMNAGAAALDH1A1MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed
EP-1658288-B1 2-AMINO-5-BENZOYLTHIAZOLE NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-12-05 EP disclosed
US-7250431-B2 neuropeptide Y(NPY) receptor antagonists; useful in the treatment of obesity; such as 4-methoxy-N-{4-[5-(2-methyl-benzoyl)-thiazol-2-ylamino]-phenyl}-benzenesulfonamide HOFFMANN-LA ROCHE INC. (US) 2007-07-31 US disclosed
EP-1658288-A1 2-AMINO-5-BENZOYLTHIAZOLE NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-24 EP disclosed
WO-2005014592-A1 2-AMINO-5-BENZOYLTHIAZOLE NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO disclosed
US-20050038089-A1 neuropeptide Y(NPY) receptor antagonists; useful in the treatment of obesity; such as 4-methoxy-N-{4-[5-(2-methyl-benzoyl)-thiazol-2-ylamino]-phenyl}-benzenesulfonamide HOFFMAN-LA ROCHE INC. 2005-02-17 US disclosed
US-4665083-A ANTIDEPRESSANT, ANTIEPILEPTIC, SPASMOLYTIC, ANTIPARKINSONIC EGIS GYOGYSZERGYAR (HU) 1987-05-12 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-20050038089-A1 neuropeptide Y(NPY) receptor antagonists; useful in the treatment of obesity; such as 4-methoxy-N-{4-[5-(2-methyl-benzoyl)-thiazol-2-ylamino]-phenyl}-benzenesulfonamide NPY5R, NPY1R, NPY4R TSHR 43/4885LMNA 3317/4885GAA 2388/4885

“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.