SCHEMBL841579

SCHEMBL841579

CC(N)(CN)Cc1c([N+](=O)[O-])c(Cl)nc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
ALDH1A1 P00352 5/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TLR9 Q9NR96 2/20 0.35
MITF O75030 1/20 0.35
AGTR1 P30556 1/20 0.35
KDM4E B2RXH2 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALOX12 P18054 1/20 0.34
EGFR P00533 1/20 0.34
POLB P06746 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
GUSB P08236 2/20 0.33

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
SCHEMBL4374732 0.76 EGFR (0.45) MAPTALDH1A1LMNAHTTNPC1
SCHEMBL5034513 0.76 POLB (0.34) POLB
SCHEMBL14950224 0.73 EGFR (0.47) MAPTALDH1A1LMNAHTTNPC1
SCHEMBL841578 0.73 RAB9A (0.35) MAPTALDH1A1LMNAHTTNPC1
SCHEMBL3870999 0.72 ACHE (0.48) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL15978465 0.72 TSHR (0.46) MAPTALDH1A1LMNAHTTNPC1
SCHEMBL159319 0.72 MAOA (0.52) MAPTALDH1A1LMNAHTTNPC1
SCHEMBL29809325 0.72 MAOA (0.52) MAPTALDH1A1LMNAHTTNPC1
SCHEMBL3170951 0.71 EGFR (0.47) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL842812 0.71 EGFR (0.45) MAPTALDH1A1LMNAHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846710-B2 Method of preferentially inducing the biosynthesis of interferon 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-09-30 US disclosed
US-8178677-B2 Hydroxyalkyl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-15 US disclosed
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-20090029988-A1 Hydroxyalkyl Substituted Imidazoquinolines COLEY PHARMACEUTICAL GROP, INC. (US) 2009-01-29 US disclosed
US-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-01-29 US disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
EP-1851224-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2007-11-07 EP disclosed
EP-1850849-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON Coley Pharmaceutical Group, Inc. (US) 2007-11-07 EP disclosed
WO-2006098852-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-09-21 WO disclosed
WO-2006091647-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 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 (3 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-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon IFNG, IFNAR1, EIF2AK2 MAPT 4806/4885ALDH1A1 1275/4885LMNA 4342/4885
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 MAPT 4419/4885ALDH1A1 1223/4885LMNA 4092/4885
US-20090029988-A1 Hydroxyalkyl Substituted Imidazoquinolines IFNG, IRF3, IFNAR1 MAPT 4825/4885ALDH1A1 989/4885LMNA 3293/4885

“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.