SCHEMBL211899

SCHEMBL211899

O=C(O)NCc1cccc(CNc2c([N+](=O)[O-])c(Cl)nc3ccccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
PDE5A O76074 1/20 0.47
GLA P06280 2/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 8/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 3/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
RAD52 P43351 1/20 0.44
HCRTR1 O43613 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL211900 1.00 EGFR (0.48) EGFRPDE5AGLAGAAALDH1A1
SCHEMBL5075536 0.92 EGFR (0.56) EGFRGLAGAAALDH1A1KMT2A
SCHEMBL5075541 0.92 EGFR (0.56) EGFRGLAGAAALDH1A1KMT2A
SCHEMBL212307 0.88 EGFR (0.60) EGFRPDE5AGLAALDH1A1KMT2A
SCHEMBL212372 0.87 EGFR (0.48) EGFRPDE5AGLAGAAALDH1A1
SCHEMBL24732877 0.85 EGFR (0.49) EGFRPDE5AGLAGAAALDH1A1
SCHEMBL29809463 0.85 EGFR (0.49) EGFRPDE5AGLAGAAALDH1A1
SCHEMBL24733036 0.84 EGFR (0.48) EGFRPDE5AGLAGAAALDH1A1
SCHEMBL29808981 0.84 EGFR (0.48) EGFRPDE5AGLAGAAALDH1A1
SCHEMBL3950099 0.83 BCHE (0.44) EGFRGLAGAAALDH1A1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948173-B1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2013-07-17 EP disclosed
US-8377957-B2 Hydroxy and alkoxy substituted 1H-imidazoquinolines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-19 US disclosed
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2012-03-22 US disclosed
US-8088790-B2 Hydroxy and alkoxy substituted 1H-imidazoquinolines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed
US-20090221556-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS PFIZER INC. 2009-09-03 US disclosed
EP-1948173-A2 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS Coley Pharmaceutical Group, Inc. (US) 2008-07-30 EP disclosed
WO-2007056112-A2 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-05-18 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-20090221556-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 EGFR 3299/4885PDE5A 3791/4885GLA 3674/4885
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 EGFR 3299/4885PDE5A 3791/4885GLA 3674/4885

“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.