SCHEMBL3867800

SCHEMBL3867800

CC(C)(O)CNc1c([N+](=O)[O-])cnc2cc(Cc3ccccc3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
EGFR P00533 1/20 0.38
ACHE P22303 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3861961 0.92 TNF (0.39) EGLN2PDCD1CD274ACHE
SCHEMBL1486584 0.86 MEN1 (0.42) EGLN2PDCD1CD274MAPT
SCHEMBL29481131 0.84 SMN1; SMN2 (0.41) PDCD1CD274EGFRACHEALDH1A1
SCHEMBL1490855 0.84 SMN1; SMN2 (0.41) PDCD1CD274EGFRACHEALDH1A1
SCHEMBL6722348 0.83 CYP3A4 (0.40) ALDH1A1MAPTHPGD
SCHEMBL3862496 0.83 PTGES (0.41) PDCD1CD274EGFRALDH1A1MAPT
SCHEMBL3860553 0.81 EGLN2 (0.40) EGLN2EGFR
SCHEMBL22558915 0.81 KMT2A (0.41) EGFRALDH1A1MAPT
SCHEMBL3865097 0.79 EGFR (0.41) EGLN2EGFRALDH1A1MAPT
SCHEMBL3875765 0.77 MAPT (0.44) EGLN2MAPT

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 6 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
US-20040147543-A1 Aryl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-29 US 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 (2 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-20040147543-A1 Aryl substituted imidazoquinolines IL2, IFNG, IRF3 EGLN2 1219/4885PDCD1 446/4885CD274 857/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 EGLN2 1219/4885PDCD1 446/4885CD274 857/4885

“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.