Sugi Predict

Sugi Predict / Compounds / SCHEMBL213119

SCHEMBL213119

SCHEMBL213119

O=[N+]([O-])c1c(Cl)nc2ccccc2c1NCC1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 1/20 0.42
▸ EGFR P00533 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAOB P27338 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37

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
SCHEMBL213949 0.81 KCNH3 (0.46) KCNH3MAPTMEN1KMT2ARAB9A
SCHEMBL14842148 0.79 KMT2A (0.57) MAPTMEN1MAPK1KMT2ARAB9A
SCHEMBL2744399 0.79 KCNH2 (0.44) KCNH3MAPTMEN1MAPK1KMT2A
SCHEMBL31037652 0.77 KDM4E (0.50) PKMHTR6KDM4ECYP2D6CYP2C9
SCHEMBL212307 0.77 EGFR (0.60) EGFRMAPTMEN1MAPK1KMT2A
SCHEMBL12744387 0.76 POLB (0.58) EGFRMAPTMEN1MAPK1KMT2A
SCHEMBL12744367 0.76 EGFR (0.47) EGFRMAPTMEN1MAPK1KMT2A
SCHEMBL1456869 0.76 KDM4E (0.52) EGFRMAPTMEN1MAPK1KMT2A
SCHEMBL28386572 0.75 MAPT (0.39) EGFRMAPTMEN1MAPK1KMT2A
SCHEMBL1457279 0.75 ACHE (0.48) EGFRMAPTMEN1MAPK1KMT2A

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 KCNH3 3215/4885EGFR 3299/4885MAPT 4616/4885
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 KCNH3 3215/4885EGFR 3299/4885MAPT 4616/4885

“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.