SCHEMBL4293155

SCHEMBL4293155

O=C(Nc1ncc(Cl)s1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 4/20 0.64
MAPT P10636 8/20 0.64
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
SMN1; SMN2 Q16637 7/20 0.61
LMNA P02545 2/20 0.61
POLB P06746 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTT P42858 1/20 0.61
NPC1 O15118 4/20 0.60
KDM4E B2RXH2 1/20 0.60
RAB9A P51151 3/20 0.57
PKM P14618 1/20 0.57
MMP13 P45452 2/20 0.57
SCD O00767 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54

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
SCHEMBL13696098 0.85 MAPT (0.48) STAT3MAPTKMT2AMEN1L3MBTL1
SCHEMBL5836861 0.81 CCNE1 (0.68) STAT3MAPTKMT2AMEN1L3MBTL1
SCHEMBL4297883 0.80 ALOX15 (0.58) STAT3KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL2681128 0.78 STAT3 (1.00) STAT3MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4292546 0.77 KDR (0.59) KMT2AMEN1POLBNPC1KDM4E
SCHEMBL25063186 0.76 STAT3 (0.60) STAT3MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL30338860 0.76 STAT3 (0.60) STAT3MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL14516671 0.76 CYP11B1 (0.60) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2651320 0.76 GCK (0.53) STAT3MAPTKMT2AMEN1L3MBTL1
SCHEMBL28147827 0.76 LCK (0.76) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2

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
US-20090247593-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 US disclosed
EP-1803455-A1 N-thiazol-2-yl-benzamide derivatives H.Lundbeck A/S (DK) 2007-07-04 EP disclosed
EP-1682129-B1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES LUNDBECK & CO AS H (DK) 2007-02-21 EP disclosed
CN-1870996-A N-thiazol-2-yl-benzamide derivatives LUNDBECK & CO AS H (DK) 2006-11-29 CN disclosed
EP-1682129-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2006-07-26 EP disclosed
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives H. LUNDBECK A/S (DK) 2006-07-13 US disclosed
WO-2005039572-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2005-05-06 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 (2 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-20090247593-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES ADORA2A, ADORA3, ADORA1 STAT3 2851/4885MAPT 1300/4885KMT2A 1334/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 STAT3 2851/4885MAPT 1300/4885KMT2A 1334/4885

“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.