SCHEMBL2978347

SCHEMBL2978347

CCOC(=O)/C(C)=N\Nc1ccc(OC)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.64
LMNA P02545 4/20 0.64
MAPK1 P28482 6/20 0.55
ALDH1A1 P00352 4/20 0.55
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 6/20 0.54
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
CYP2C19 P33261 1/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48

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
SCHEMBL13204030 1.00 MAPT (0.64) MAPTLMNAMAPK1ALDH1A1GAA
SCHEMBL2654136 1.00 MAPT (0.64) MAPTLMNAMAPK1ALDH1A1GAA
SCHEMBL2654782 0.88 MAPT (0.62) MAPTLMNAMAPK1ALDH1A1GAA
SCHEMBL2656807 0.88 MAPT (0.62) MAPTLMNAMAPK1ALDH1A1GAA
SCHEMBL2654399 0.87 MAPT (0.61) MAPTLMNAMAPK1ALDH1A1GAA
SCHEMBL2654401 0.87 MAPT (0.61) MAPTLMNAMAPK1ALDH1A1GAA
SCHEMBL2654183 0.87 MAPT (0.58) MAPTLMNAMAPK1ALDH1A1GAA
SCHEMBL13203996 0.87 MAPT (0.58) MAPTLMNAMAPK1ALDH1A1GAA
SCHEMBL2654181 0.87 MAPT (0.58) MAPTLMNAMAPK1ALDH1A1GAA
SCHEMBL2970798 0.87 MAPT (0.55) MAPTLMNAMAPK1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017077307-A1 THERAPY AND PHARMACEUTICAL COMPOSITION UNIVERSITY OF SOUTHAMPTON (GB) 2017-05-11 WO claimed
WO-2017077307-A1 THERAPY AND PHARMACEUTICAL COMPOSITION UNIVERSITY OF SOUTHAMPTON (GB) 2017-05-11 WO disclosed
WO-2017077307-A1 THERAPY AND PHARMACEUTICAL COMPOSITION UNIVERSITY OF SOUTHAMPTON (GB) 2017-05-11 WO disclosed
US-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
EP-2508524-A2 Indole compound Takeda Pharmaceutical Company Limited (JP) 2012-10-10 EP disclosed
US-7777047-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 US disclosed
US-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 US disclosed
US-20100137610-A1 Indole compound YASUMA TSUNEO 2010-06-03 US disclosed
US-7718798-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-18 US disclosed
US-7652133-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-26 US disclosed
US-20090286975-A1 Indole compound YASUMA TSUNEO 2009-11-19 US disclosed
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-04-24 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 (4 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-20100144702-A1 INDOLE COMPOUND GCKR, GPR119, SLC5A1 MAPT 4224/4885LMNA 4727/4885MAPK1 380/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 MAPT 4224/4885LMNA 4727/4885MAPK1 380/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 MAPT 4224/4885LMNA 4727/4885MAPK1 380/4885
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example GCKR, GCK, KHK MAPT 4496/4885LMNA 4653/4885MAPK1 430/4885

“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.