SCHEMBL842415

SCHEMBL842415

CNc1c([N+](=O)[O-])c(Cl)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MEN1 O00255 5/20 0.47
MAPT P10636 5/20 0.47
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 3/20 0.47
GLA P06280 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
POLB P06746 2/20 0.44
EGFR P00533 1/20 0.44
KDM1A O60341 1/20 0.42
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL31601139 0.83 HTT (0.40) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL12744367 0.82 EGFR (0.47) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL28473510 0.82 KMT2A (0.47) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL28252530 0.82 KMT2A (0.47) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL1457279 0.81 ACHE (0.48) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL4564941 0.81 MAPT (0.45) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL214937 0.81 MAPT (0.45) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL212396 0.81 MAPT (0.45) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL14950224 0.81 EGFR (0.47) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL8870696 0.81 EGFR (0.47) KMT2AMEN1MAPTMAPK1KDM4E

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
US-9441005-B2 Toll-like receptor-7 and -8 modulatory 1H imidazoquinoline derived compounds UNIVERSITY OF KANSAS (US) 2016-09-13 US disclosed
US-20140256922-A1 TOLL-LIKE RECEPTOR-7 AND -8 MODULATORY 1H IMIDAZOQUINOLINE DERIVED COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-09-11 US disclosed
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
EP-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
EP-1784180-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-16 EP disclosed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 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-20140256922-A1 TOLL-LIKE RECEPTOR-7 AND -8 MODULATORY 1H IMIDAZOQUINOLINE DERIVED COMPOUNDS TLR7, TLR8, TLR3 KMT2A 1044/4885MEN1 4609/4885MAPT 4232/4885
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 KMT2A 1860/4885MEN1 3048/4885MAPT 4419/4885

“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.