SCHEMBL118694

SCHEMBL118694

O=C(O)c1cn2cccc(CO[SiH3])c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
DHODH Q02127 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.34
DHFR P00374 1/20 0.33
CREBBP Q92793 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ALDH1A2 O94788 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL119058 0.83 KDM4E (0.52) CYP1A2MAPTKDM4ENPC1RAB9A
SCHEMBL2505187 0.82 PTGS1 (0.51) PTGS1PTGS2DHODHRXFP1CYP1A2
SCHEMBL8607281 0.79 PTGS1 (0.48) PTGS1PTGS2DHODHRXFP1CYP1A2
SCHEMBL3305733 0.74 PTGS1 (0.56) PTGS1PTGS2DHODHRXFP1CYP1A2
SCHEMBL7274305 0.74 PSEN1 (0.48) PTGS1PTGS2MAPTKDM4ENPC1
SCHEMBL19660422 0.73 PTGS1 (0.54) PTGS1PTGS2DHODHRXFP1CYP1A2
SCHEMBL1758978 0.73 RXFP1 (0.56) PTGS1PTGS2RXFP1MAPTKDM4E
SCHEMBL31211453 0.73 PTGS1 (0.54) PTGS1PTGS2DHODHRXFP1CYP1A2
SCHEMBL30556624 0.73 PTGS1 (0.54) PTGS1PTGS2DHODHRXFP1CYP1A2
SCHEMBL8373781 0.73 PTGS1 (0.54) PTGS1PTGS2DHODHRXFP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 US disclosed
EP-2424866-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS -SECRETASE INHIBITORS High Point Pharmaceuticals, LLC (US) 2012-03-07 EP disclosed
WO-2010126745-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-04 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-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP PTGS1 1301/4885PTGS2 2014/4885DHODH 1082/4885

“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.