SCHEMBL841911

SCHEMBL841911

Cc1nc(Cl)c([N+](=O)[O-])c(CC(C)C)c1C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
MAPT P10636 2/20 0.31
HTT P42858 2/20 0.31
MAPK1 P28482 3/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL27610066 0.88 POLB (0.41) POLB
SCHEMBL13939169 0.76 POLB (0.41) POLBMAPTMAPK1TDP1ALDH1A1
SCHEMBL2059190 0.75 POLB (0.46) POLBMAPTHTTMAPK1TDP1
SCHEMBL843365 0.74 TSHR (0.42) POLBMAPTMAPK1TDP1ALDH1A1
SCHEMBL5034513 0.73 POLB (0.34) POLB
SCHEMBL7953310 0.72 POLB (0.41) POLBMAPTMAPK1TDP1ALDH1A1
SCHEMBL26127464 0.72 ALDH1A1 (0.35) POLBHTTTDP1ALDH1A1
SCHEMBL15218851 0.71 POLB (0.36) POLBMAPTHTT
SCHEMBL6645960 0.71 POLB (0.46) POLBMAPTMAPK1ALDH1A1
SCHEMBL6645966 0.71 POLB (0.46) POLBMAPTMAPK1ALDH1A1

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 5 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
EP-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
EP-1784180-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-16 EP disclosed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 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-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 POLB 3413/4885MAPT 4419/4885HTT 3864/4885

“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.