Sugi Predict

Sugi Predict / Compounds / SCHEMBL210947

SCHEMBL210947

SCHEMBL210947

COc1ccc(CNc2c([N+](=O)[O-])c(Cl)nc3ccccc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.78
▸ APP P05067 2/20 0.51
▸ ACP1 P24666 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ NCF1 P14598 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ NR2F2 P24468 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46

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
SCHEMBL212307 0.89 EGFR (0.60) EGFRAPPMAPTNPSR1POLB
SCHEMBL24733028 0.89 EGFR (0.62) EGFRAPPACP1MAPTNPSR1
SCHEMBL28802652 0.86 EGFR (0.59) EGFRMAPTNPSR1POLBRAB9A
SCHEMBL8122688 0.85 EGFR (0.56) EGFRAPPMAPTNPSR1POLB
SCHEMBL5075536 0.84 EGFR (0.56) EGFRMAPTNPSR1POLBKMT2A
SCHEMBL5075541 0.84 EGFR (0.56) EGFRMAPTNPSR1POLBKMT2A
SCHEMBL29381474 0.83 EGFR (0.55) EGFRPOLBNPC1RAB9AKMT2A
SCHEMBL212541 0.83 EGFR (0.55) EGFRPOLBNPC1RAB9AKMT2A
SCHEMBL19469435 0.81 EGFR (0.53) EGFRAPPMAPTPOLBKMT2A
SCHEMBL29809100 0.81 EGFR (0.53) EGFRACP1MAPTNPSR1POLB

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
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
CN-101309687-A Hydroxy and alkoxy substituted 1h-imidazoquinolines and methods COLEY PHARM GROUP INC (US) 2008-11-19 — — CN 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 3299/4885APP 4434/4885ACP1 1803/4885
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 EGFR 3299/4885APP 4434/4885ACP1 1803/4885

“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.