SCHEMBL710603

SCHEMBL710603

COC(=O)c1cc(NC(C)=O)cc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 4/20 0.55
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
POLB P06746 2/20 0.53
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.48
ALOX5 P09917 1/20 0.48
CASP3 P42574 1/20 0.47

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
SCHEMBL8374386 0.89 MEN1 (0.64) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL27484718 0.87 POLB (0.55) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL8380032 0.87 POLB (0.69) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL711162 0.84 SMN1; SMN2 (0.58) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5627879 0.84 MEN1 (0.53) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL7335938 0.84 SMN1; SMN2 (0.69) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7833515 0.84 SMN1; SMN2 (0.69) LMNASMN1; SMN2MAPTMEN1KMT2A
Methyl 3,5-Dinitrobenzoate SCHEMBL418416 0.84 SMN1; SMN2 (0.60) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL561284 0.84 HTT (0.64) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL10193010 0.82 HTT (0.51) SMN1; SMN2MAPTMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
EP-1940837-A2 IMIDAZOPYRIDINE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-07-09 EP disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 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-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS GCK, GCKR, KHK LMNA 4158/4885SMN1; SMN2 3631/4885MAPT 3003/4885

“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.