SCHEMBL4697055

SCHEMBL4697055

CC(C)(C)OC(=O)Nc1cc([N+](=O)[O-])n[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX5 P09917 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PRMT1 Q99873 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
ATR Q13535 1/20 0.35
MMP1 P03956 3/20 0.35
MMP2 P08253 3/20 0.35
MMP9 P14780 3/20 0.35
MMP8 P22894 3/20 0.35
MMP13 P45452 3/20 0.35
NR3C2 P08235 1/20 0.34
MAP4K4 O95819 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL20672997 0.78 ATR (0.39) ATRLCKKDM4ELMNACDK1
SCHEMBL4699047 0.77 MAP4K4 (0.39) ALDH1A1ATRMAP4K4LCKKDM4E
SCHEMBL24035215 0.77 LCK (0.38) SMN1; SMN2NPC1RAB9AALDH1A1ATR
SCHEMBL1555895 0.75 DYRK1A (0.43) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL2176611 0.72 MAPK14 (0.44) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL18138246 0.71 PRMT1 (0.41) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL4697772 0.71 ALDH1A1 (0.36) ALDH1A1ATRMAP4K4KDM4ELMNA
SCHEMBL29119862 0.69 PRMT1 (0.49) PRMT1MEN1KMT2AMMP1MMP2
SCHEMBL10025752 0.69 MAPT (0.43) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL20557969 0.69 SMN1; SMN2 (0.55) MAPTSMN1; SMN2ALOX5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966222-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
WO-2007059341-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 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 (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-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators MAP4K2, MAP4K5, MAP4K3 MAPT 773/4885SMN1; SMN2 3826/4885ALOX5 3805/4885

“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.