SCHEMBL708969

SCHEMBL708969

COC(=O)c1cc(OCc2ccccc2F)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.49
PARP15 Q460N3 2/20 0.46
PARP10 Q53GL7 2/20 0.46
PARP14 Q460N5 1/20 0.46
KMT2A Q03164 4/20 0.46
RARA P10276 1/20 0.45
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
GCK P35557 1/20 0.45
ALOX5 P09917 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL708968 0.87 GCK (0.53) MAOBPARP15PARP10PARP14KMT2A
SCHEMBL14505835 0.87 MAOB (0.59) MAOBPARP15PARP10PARP14KMT2A
SCHEMBL711371 0.83 MAOB (0.56) MAOBPARP15PARP10PARP14KMT2A
SCHEMBL14505834 0.82 GCK (0.57) MAOBPARP15PARP10PARP14KMT2A
SCHEMBL2650147 0.80 MAOB (0.52) MAOBPARP15PARP10PARP14KMT2A
SCHEMBL712175 0.80 GCK (0.53) MAOBPARP15PARP10PARP14KMT2A
SCHEMBL6841271 0.80 MAPT (0.53) MAOBKMT2AALOX5ALDH1A1MEN1
SCHEMBL12615603 0.79 GCK (0.63) MAOBPARP15PARP10PARP14RARA
SCHEMBL1444069 0.78 MAOB (0.74) MAOBPARP15PARP10PARP14KMT2A
SCHEMBL16245017 0.78 KMT2A (0.54) KMT2AALOX5ALDH1A1MEN1POLB

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 MAOB 1046/4885PARP15 1542/4885PARP10 2621/4885

“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.