SCHEMBL2654166

SCHEMBL2654166

CCOC(=O)C(C)=NNc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.57
MAPK1 P28482 7/20 0.57
LMNA P02545 7/20 0.57
GAA P10253 5/20 0.57
ALDH1A1 P00352 4/20 0.57
TDP1 Q9NUW8 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 6/20 0.53
L3MBTL1 Q9Y468 5/20 0.53
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
PKM P14618 2/20 0.45
NPC1 O15118 1/20 0.45
CRHBP P24387 1/20 0.45
RAB9A P51151 1/20 0.45
CRHR2 Q13324 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL2977194 1.00 MAPT (0.57) MAPTMAPK1LMNAGAAALDH1A1
SCHEMBL13203996 0.89 MAPT (0.58) MAPTMAPK1LMNAGAAALDH1A1
SCHEMBL2654181 0.89 MAPT (0.58) MAPTMAPK1LMNAGAAALDH1A1
SCHEMBL2654183 0.89 MAPT (0.58) MAPTMAPK1LMNAGAAALDH1A1
SCHEMBL1278182 0.87 MAPT (0.56) MAPTMAPK1LMNAGAAALDH1A1
SCHEMBL2656855 0.87 MAPT (0.56) MAPTMAPK1LMNAGAAALDH1A1
SCHEMBL1278183 0.87 MAPT (0.56) MAPTMAPK1LMNAGAAALDH1A1
SCHEMBL13731520 0.87 MAPT (0.56) MAPTMAPK1LMNAGAAALDH1A1
SCHEMBL15468805 0.87 MAPT (0.56) MAPTMAPK1LMNAGAAALDH1A1
SCHEMBL9073036 0.87 MAPT (0.56) MAPTMAPK1LMNAGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
CN-101573357-B Indole compound TAKAEDA CHEMICAL IND LTD 2013-01-23 CN 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
CN-101573357-A Indole compound TAKEDA PHARMACEUTICAL (JP) 2009-11-04 CN disclosed
EP-2074119-A1 INDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO 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 4224/4885MAPK1 380/4885LMNA 4727/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 MAPT 4224/4885MAPK1 380/4885LMNA 4727/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 MAPT 4224/4885MAPK1 380/4885LMNA 4727/4885
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 4496/4885MAPK1 430/4885LMNA 4653/4885

“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.