SCHEMBL10205334

SCHEMBL10205334

CC(C)Oc1ccccc1-c1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 9/20 0.68
▸ PDE5A O76074 4/20 0.63
▸ KDM4E B2RXH2 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ TNKS O95271 4/20 0.54
▸ TNKS2 Q9H2K2 4/20 0.54
▸ PARP1 P09874 3/20 0.54
▸ PARP2 Q9UGN5 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51

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
SCHEMBL1084872 0.85 GUSB (0.78) GUSBKDM4EHPGDTNKSTNKS2
SCHEMBL29740691 0.85 GUSB (0.78) GUSBKDM4EHPGDTNKSTNKS2
SCHEMBL11375677 0.83 PDE5A (0.54) GUSBPDE5AKDM4EHPGDTNKS
SCHEMBL13604403 0.82 GUSB (0.69) GUSBKDM4EHPGDTNKSTNKS2
SCHEMBL11380795 0.81 PDE5A (0.55) GUSBPDE5AKDM4EHPGDTNKS
SCHEMBL7160589 0.81 GUSB (1.00) GUSBPDE5AKDM4EHPGD
SCHEMBL31238756 0.81 GUSB (1.00) GUSBPDE5AKDM4EHPGD
SCHEMBL4579539 0.81 GUSB (0.67) GUSBKDM4EHPGDTNKSTNKS2
SCHEMBL14845878 0.80 GUSB (0.63) GUSBKDM4EHPGDTNKSTNKS2
SCHEMBL297069 0.80 GUSB (0.67) GUSBPDE5AKDM4EHPGDTNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MOLECULAR PROBES, INC. 2017-03-16 — — US disclosed
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MOLECULAR PROBES, INC. 2017-03-16 — — US disclosed
US-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use LIFE TECHNOLOGIES CORP (US) 2016-05-19 — — US disclosed
US-8865891-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2014-10-21 — — US disclosed
US-20130090470-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2013-04-11 — — US disclosed
US-8318450-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2012-11-27 — — US disclosed
US-8318450-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2012-11-27 — — US disclosed
US-20120040380-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2012-02-16 — — US disclosed
US-20120040380-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2012-02-16 — — US disclosed
US-20090047692-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2009-02-19 — — US disclosed
US-20090047692-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2009-02-19 — — 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 (4 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-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA GUSB 22/4885PDE5A 936/4885KDM4E 3086/4885
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA GUSB 22/4885PDE5A 936/4885KDM4E 3086/4885
US-20130090470-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE MGAM, LCT, GAA GUSB 22/4885PDE5A 936/4885KDM4E 3086/4885
US-20090047692-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE MGAM, LCT, GAA GUSB 22/4885PDE5A 936/4885KDM4E 3086/4885

“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.

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