SCHEMBL3862001

SCHEMBL3862001

CC(C)(N)C(N)c1c([N+](=O)[O-])cnc2cc(Br)ccc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.42
EGFR P00533 8/20 0.36
FBP1 P09467 1/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
PIN1 Q13526 1/20 0.31
XDH P47989 1/20 0.31
KAT2B Q92831 1/20 0.31
S100A4 P26447 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL3861252 0.83 PIN1 (0.38) MAPTPIN1
SCHEMBL3867090 0.81 PTGES (0.43) PTGESEGFRFBP1LMNASMN1; SMN2
SCHEMBL3870002 0.76 PTGES (0.40) PTGESEGFRMAPT
SCHEMBL25361030 0.75 PIN1 (0.31) MAPTPIN1
SCHEMBL26620010 0.75 PTGES (0.49) PTGESEGFRFBP1LMNAMAPT
SCHEMBL31424455 0.75 PTGES (0.51) PTGESEGFRFBP1LMNAMAPT
SCHEMBL3862005 0.74 PTGES (0.41) PTGESEGFRFBP1LMNAHPGD
SCHEMBL6760464 0.74 PTGES (0.43) PTGESEGFRFBP1MAPT
SCHEMBL4157332 0.73 PDE10A (0.40) LMNASMN1; SMN2MAPT
SCHEMBL202476 0.72 PTGES (0.49) PTGESEGFRFBP1LMNAMAPT

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-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-7091214-B2 Aryl substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-08-15 US disclosed
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 US disclosed
EP-1590348-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-11-02 EP disclosed
WO-2004058759-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-15 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-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 PTGES 296/4885EGFR 3216/4885FBP1 3395/4885

“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.