Sugi Predict

Sugi Predict / Compounds / SCHEMBL217059

SCHEMBL217059

SCHEMBL217059

COc1c(O)c(C)c(C)n(Cc2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TSHR P16473 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ FABP4 P15090 1/20 0.43
▸ PLA2G2A P14555 3/20 0.43
▸ PLA2G1B P04054 1/20 0.43

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
SCHEMBL1958883 0.78 ERCC5 (0.53) KMT2ASMN1; SMN2TP53KDM4ECYP2D6
SCHEMBL217875 0.72 ALDH1A1 (0.42) KMT2ASMN1; SMN2TP53KDM4EHTT
SCHEMBL1960754 0.71 EGLN1 (0.71) KDM4E
SCHEMBL2736481 0.71 ALDH1A1 (0.49) KMT2ASMN1; SMN2TSHRLMNAMAPT
SCHEMBL218308 0.71 CNR2 (0.48) KMT2ASMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL6577295 0.71 KMT2A (0.49) KMT2ALMNAPKMHDAC1HDAC6
SCHEMBL7821723 0.70 LMNA (0.50) SMN1; SMN2TP53KDM4ETSHRLMNA
SCHEMBL13530925 0.70 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2TP53HTTLMNA
SCHEMBL20864169 0.68 FEN1 (0.70) —
SCHEMBL13236029 0.68 KMT2A (0.39) KMT2ASMN1; SMN2KDM4EHTTTSHR

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 21 patents — showing the first 20. 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-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-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
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 — — 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-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-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 KMT2A 2963/4885SMN1; SMN2 4652/4885TP53 4820/4885
US-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 KMT2A 2637/4885SMN1; SMN2 3763/4885TP53 4877/4885
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor CNR2, CNR1, NPY2R KMT2A 2117/4885SMN1; SMN2 4681/4885TP53 4836/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 KMT2A 2819/4885SMN1; SMN2 3366/4885TP53 4881/4885
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor CNR1, CNR2, NPY1R KMT2A 1553/4885SMN1; SMN2 4647/4885TP53 4855/4885

“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.