SCHEMBL215155

SCHEMBL215155

COc1nc(C)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 7/20 0.40
HTT P42858 2/20 0.40
GALR2 O43603 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 2/20 0.38
TDP1 Q9NUW8 3/20 0.38
MERTK Q12866 1/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
PRKDC P78527 1/20 0.38
AGTR1 P30556 1/20 0.37
TSHR P16473 2/20 0.37
RECQL P46063 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PKM P14618 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
SCHEMBL16601878 0.87 ALDH1A1 (0.41) ALDH1A1HTTGALR2LMNAPOLB
SCHEMBL1558867 0.86 CYP1A2 (0.41) CYP1A2ALDH1A1HTTGAATDP1
SCHEMBL25637795 0.83 ALDH1A1 (0.42) CYP1A2ALDH1A1HTTLMNAGAA
SCHEMBL19171917 0.83 MERTK (0.42) CYP1A2ALDH1A1HTTTDP1MERTK
SCHEMBL10781069 0.83 ALDH1A1 (0.45) ALDH1A1HTTGALR2LMNAPOLB
SCHEMBL9432156 0.81 ALDH1A1 (0.40) ALDH1A1HTTPOLBGAATDP1
SCHEMBL12354210 0.80 CYP1A2 (0.40) CYP1A2ALDH1A1HTTGAATDP1
SCHEMBL8801989 0.79 CYP1A2 (0.47) CYP1A2ALDH1A1HTTGALR2LMNA
SCHEMBL15514790 0.78 POLB (0.43) CYP1A2ALDH1A1LMNAPOLBGAA
SCHEMBL25637888 0.77 SMN1; SMN2 (0.40) CYP1A2ALDH1A1HTTGALR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed
EP-1357111-B1 2-PYRIDONE DERIVATIVES HAVING AFFINITY FOR CANNABINOID TYPE 2 RECEPTOR SHIONOGI & CO (JP) 2009-08-05 EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor TADA YUKIO 2006-03-09 US disclosed
US-6977266-B2 Pyridone derivatives having affinity for cannabinoid 2-type receptor SHIONOGI & CO., LTD. (JP) 2005-12-20 US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 EP disclosed
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor SHIONOGI & CO., LTD. (JP) 2004-04-29 US disclosed
EP-1357111-A1 PYRIDONE DERIVATIVE HAVING AFFINITY FOR CANNABINOID 2-TYPE RECEPTOR SHIONOGI & CO., LTD. (JP) 2003-10-29 EP 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 (5 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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R CYP1A2 224/4885ALDH1A1 3078/4885HTT 4572/4885
US-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 CYP1A2 2499/4885ALDH1A1 4118/4885HTT 3822/4885
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor CNR2, CNR1, NPY2R CYP1A2 273/4885ALDH1A1 2526/4885HTT 4670/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CYP1A2 2356/4885ALDH1A1 3580/4885HTT 2610/4885
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor CNR1, CNR2, NPY1R CYP1A2 668/4885ALDH1A1 3084/4885HTT 4689/4885

“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.