SCHEMBL842306

SCHEMBL842306

O=[N+]([O-])c1c(O)c2ncccc2n2nnnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.42
KDM4E B2RXH2 8/20 0.42
ALDH1A1 P00352 7/20 0.42
TDP1 Q9NUW8 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HTT P42858 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 4/20 0.42
CTSB P07858 4/20 0.42
HSP90AA1 P07900 3/20 0.42
CASP6 P55212 3/20 0.42
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
OPRK1 P41145 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
BRD4 O60885 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL842477 0.84 NPY1R (0.36) MAPTKDM4EALDH1A1TDP1MEN1
SCHEMBL3354370 0.82 S100A4 (0.42) MAPTKDM4EALDH1A1TDP1MEN1
SCHEMBL6097459 0.81 S100A4 (0.47) MAPTKDM4EALDH1A1MEN1KMT2A
Water SCHEMBL6101423 0.80 S100A4 (0.46) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL863108 0.75 PDE4D (0.41) MAPTKDM4EALDH1A1TDP1MEN1
Water SCHEMBL8467556 0.72 MEN1 (0.38) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3355530 0.71 NPY1R (0.36) MAPTKDM4EALDH1A1TDP1MEN1
SCHEMBL4302874 0.71 ALDH1A1 (0.39) MAPTKDM4EALDH1A1TDP1MEN1
SCHEMBL6106397 0.70 ALDH1A1 (0.51) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL6099876 0.70 LMNA (0.40) MAPTKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 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 (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-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 MAPT 4419/4885KDM4E 2804/4885ALDH1A1 1223/4885

“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.