SCHEMBL842477

SCHEMBL842477

Nc1c([N+](=O)[O-])c2nnnn2c2cccnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 13/20 0.36
MAPT P10636 6/20 0.36
PDE10A Q9Y233 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CTSB P07858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
BRD4 O60885 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ALOX12 P18054 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL842306 0.84 MAPT (0.42) MAPTPDE10AALDH1A1MEN1KMT2A
SCHEMBL3355530 0.82 NPY1R (0.36) NPY1RMAPTALDH1A1MEN1KMT2A
SCHEMBL6099876 0.81 LMNA (0.40) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL843296 0.80 MEN1 (0.38) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3358573 0.75 HASPIN (0.39) MAPTALDH1A1LMNAHTT
SCHEMBL863108 0.75 PDE4D (0.41) NPY1RMAPTALDH1A1MEN1KMT2A
SCHEMBL4302874 0.71 ALDH1A1 (0.39) NPY1RMAPTALDH1A1MEN1KMT2A
SCHEMBL3354370 0.71 S100A4 (0.42) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6106397 0.70 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6097459 0.70 S100A4 (0.47) MAPTALDH1A1MEN1KMT2ALMNA

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 2 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-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 NPY1R 3310/4885MAPT 4419/4885PDE10A 4158/4885

“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.