SCHEMBL310951

SCHEMBL310951

Cc1c(OCCN(C)C)cccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
GAA P10253 1/20 0.55
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
RECQL P46063 2/20 0.53
CHRNB2 P17787 1/20 0.52
CHRNA4 P43681 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
HTR1B P28222 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 1/20 0.47
HTR7 P34969 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42

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
SCHEMBL6298227 0.86 NPC1 (0.72) KDM4EGAANPC1RAB9ARECQL
SCHEMBL26132980 0.83 RAB9A (0.57) KDM4ENPC1RAB9ARECQLTDP1
SCHEMBL8489668 0.82 NPC1 (0.56) KDM4ENPC1RAB9ARECQLTDP1
SCHEMBL310065 0.82 NPC1 (0.56) KDM4ENPC1RAB9ARECQLTDP1
SCHEMBL10263950 0.82 NPC1 (0.56) KDM4ENPC1RAB9ARECQLTDP1
SCHEMBL11445653 0.81 KDM4E (0.48) KDM4EGAANPC1RAB9ARECQL
SCHEMBL28436127 0.81 NPC1 (0.54) KDM4ENPC1RAB9ARECQLTDP1
SCHEMBL23861126 0.80 ALDH1A1 (0.62) KDM4EGAANPC1RAB9ARECQL
SCHEMBL1141627 0.80 TDP1 (0.60) KDM4EGAANPC1RAB9ARECQL
SCHEMBL30072726 0.80 TDP1 (0.60) KDM4EGAANPC1RAB9ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 KDM4E 790/4885GAA 1644/4885NPC1 2713/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 KDM4E 790/4885GAA 1644/4885NPC1 2713/4885

“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.