SCHEMBL3863530

SCHEMBL3863530

COCCCNc1c([N+](=O)[O-])cnc2cc(Br)ccc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.39
ALDH1A1 P00352 6/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 2/20 0.39
HTT P42858 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 1/20 0.38
FBP1 P09467 1/20 0.37
MAPT P10636 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
SCHEMBL2368975 0.89 ALDH1A1 (0.39) PTGESALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL203548 0.88 MAPK1 (0.40) PTGESALDH1A1LMNAPOLBHTT
SCHEMBL5618624 0.86 EGFR (0.39) PTGESALDH1A1LMNAL3MBTL1EGFR
SCHEMBL202444 0.85 PTGES (0.41) PTGESALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL3862249 0.85 PTGES (0.41) PTGESALDH1A1LMNAL3MBTL1EGFR
SCHEMBL204085 0.85 KAT2B (0.43) PTGESLMNAEGFR
SCHEMBL24381954 0.84 LMNA (0.46) ALDH1A1LMNAPOLBHTTMAPT
SCHEMBL29620050 0.84 LMNA (0.46) ALDH1A1LMNAPOLBHTTMAPT
SCHEMBL3871117 0.84 GSTM2 (0.41) PTGESALDH1A1LMNAPOLBL3MBTL1
SCHEMBL3867941 0.84 PTGES (0.41) PTGESALDH1A1LMNAL3MBTL1EGFR

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 PTGES 296/4885ALDH1A1 730/4885LMNA 4453/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 PTGES 296/4885ALDH1A1 730/4885LMNA 4453/4885

“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.