SCHEMBL212372

SCHEMBL212372

CC(C)(C)OC(=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
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ACACB O00763 2/20 0.43
ACACA Q13085 2/20 0.43
BRD4 O60885 1/20 0.42
GLS O94925 3/20 0.42
PDE5A O76074 2/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GLA P06280 1/20 0.41
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41
HPGD P15428 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL212541 0.93 EGFR (0.55) EGFRMEN1KMT2AGAANPC1
SCHEMBL29381474 0.93 EGFR (0.55) EGFRMEN1KMT2AGAANPC1
SCHEMBL211899 0.87 EGFR (0.48) EGFRMEN1KMT2AGAAPDE5A
SCHEMBL211900 0.87 EGFR (0.48) EGFRMEN1KMT2AGAAPDE5A
SCHEMBL843596 0.87 BCHE (0.49) EGFRMEN1KMT2AGAANPC1
SCHEMBL24732877 0.85 EGFR (0.49) EGFRMEN1KMT2AGAAPDE5A
SCHEMBL29809463 0.85 EGFR (0.49) EGFRMEN1KMT2AGAAPDE5A
SCHEMBL8125697 0.85 BCHE (0.47) MEN1KMT2AGAANPC1RAB9A
SCHEMBL8137366 0.85 BCHE (0.47) MEN1KMT2AGAANPC1RAB9A
SCHEMBL212644 0.85 KMT2A (0.47) MEN1KMT2AGAANPC1RAB9A

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
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

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 3299/4885MEN1 3863/4885KMT2A 2108/4885
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 EGFR 3299/4885MEN1 3863/4885KMT2A 2108/4885

“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.