SCHEMBL215798

SCHEMBL215798

COC(=O)c1cc(I)cnc1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 12/20 0.47
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL8091281 0.82 OPRK1 (0.47) OPRK1TSHRLMNAGAAKDM4E
SCHEMBL2420694 0.81 OPRK1 (0.46) OPRK1TSHRGAAKDM4EALDH1A1
SCHEMBL1505507 0.81 OPRK1 (0.46) OPRK1TSHRGAAKDM4EALDH1A1
SCHEMBL13926052 0.80 ATM (0.49) OPRK1CA12CA1CA2CA7
SCHEMBL2436219 0.79 OPRK1 (0.45) OPRK1CA12CA1CA2CA7
SCHEMBL1886755 0.79 OPRK1 (0.50) OPRK1
SCHEMBL30989841 0.79 OPRK1 (0.50) OPRK1
SCHEMBL30843215 0.79 OPRK1 (0.47) OPRK1CA12CA1CA2CA7
SCHEMBL14548784 0.78 OPRK1 (0.44) OPRK1CA12CA1CA2CA7
SCHEMBL3982338 0.77 KDM4E (0.37) CA12CA1CA2CA7CA9

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142509-B1 QUINOLONES AND AZAQUINOLONES THAT INHIBIT PROLYL HYDROXYLASE AMGEN INC (US) 2013-12-04 EP disclosed
US-8349868-B2 Azaquinolones that inhibit prolyl hydroxylase AMGEN INC. (US) 2013-01-08 US disclosed
EP-2097416-B1 AZAQUINOLONE BASED COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC (US) 2012-09-12 EP disclosed
EP-2097416-B1 AZAQUINOLONE BASED COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC (US) 2012-09-12 EP 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-8048892-B2 Azaquinolone based compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2011-11-01 US disclosed
US-8048892-B2 Azaquinolone based compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2011-11-01 US disclosed
US-8048892-B2 Azaquinolone based compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2011-11-01 US disclosed
US-8048894-B2 Quinolones and azaquinolones that inhibit prolyl hydroxylase AMGEN INC. (US) 2011-11-01 US disclosed
US-20110224248-A1 AZAQUINOLONES THAT INHIBIT PROLYL HYDROXYLASE AMGEN INC. (US) 2011-09-15 US disclosed
WO-2008076425-A1 AZAQUINOLONE BASED COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2008-06-26 WO 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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO 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
US-5250548-A Treating hypertension, heart failure ABBOTT LABORATORIES (US) 1993-10-05 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 (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-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 OPRK1 7/4885CA12 3714/4885CA1 3568/4885
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM OPRK1 4754/4885CA12 4820/4885CA1 4793/4885
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor CNR2, CNR1, NPY2R OPRK1 22/4885CA12 4599/4885CA1 4341/4885
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor CNR1, CNR2, NPY1R OPRK1 10/4885CA12 4834/4885CA1 4640/4885
US-20110224248-A1 AZAQUINOLONES THAT INHIBIT PROLYL HYDROXYLASE HIF1AN, EGLN3, EGLN2 OPRK1 3685/4885CA12 2960/4885CA1 2798/4885

“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.