Sugi Predict

Sugi Predict / Compounds / SCHEMBL215905

SCHEMBL215905

SCHEMBL215905

Cc1cc([N+](=O)[O-])c(=O)[nH]c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.52
▸ GRIN2D O15399 4/20 0.48
▸ GRIN3B O60391 4/20 0.48
▸ GRIN1 Q05586 4/20 0.48
▸ GRIN2A Q12879 4/20 0.48
▸ GRIN2B Q13224 4/20 0.48
▸ GRIN2C Q14957 4/20 0.48
▸ GRIN3A Q8TCU5 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ TSHR P16473 3/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ GRIA1 P42261 2/20 0.48
▸ GRIA2 P42262 2/20 0.48
▸ GRIA3 P42263 2/20 0.48
▸ GRIA4 P48058 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GRIK1 P39086 1/20 0.48
▸ BLM P54132 1/20 0.48

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
SCHEMBL9432382 0.82 KDM4E (0.46) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28457504 0.81 KDM4E (0.49) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9332963 0.79 KDM4E (0.47) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12354204 0.78 KDM4E (0.46) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9846127 0.78 MAPT (0.47) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9431954 0.78 SMN1; SMN2 (0.43) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9442192 0.77 GAA (0.45) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12354186 0.75 KDM4E (0.47) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9442173 0.75 KDM4E (0.44) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9846213 0.75 KDM4E (0.44) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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 20 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
CN-100575345-C 2 type Cannabined receptors are had in conjunction with active Pyridione derivatives SHIONOGI & CO 2009-12-30 — — CN 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
CN-1492856-A Pyridone derivative having affinity for cannabinoid 2-type receptor ��Ұ����ҩ��ʽ���� 2004-04-28 — — CN disclosed
EP-1357111-A1 PYRIDONE DERIVATIVE HAVING AFFINITY FOR CANNABINOID 2-TYPE RECEPTOR SHIONOGI & CO., LTD. (JP) 2003-10-29 — — EP disclosed
EP-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 — — EP disclosed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 — — 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 KDM4E 1679/4885GRIN2D 1320/4885GRIN3B 1018/4885
US-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 KDM4E 2840/4885GRIN2D 2574/4885GRIN3B 593/4885
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor CNR2, CNR1, NPY2R KDM4E 1228/4885GRIN2D 1123/4885GRIN3B 734/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 KDM4E 3245/4885GRIN2D 2161/4885GRIN3B 558/4885
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor CNR1, CNR2, NPY1R KDM4E 590/4885GRIN2D 835/4885GRIN3B 446/4885

“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.