SCHEMBL9901185

SCHEMBL9901185

[O-][n+]1cccc2nccnc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL5894455 0.85 ALDH1A1 (0.41) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL1571887 0.74 KDM4E (0.39) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL247478 0.72 ALDH1A1 (0.41) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL29364156 0.72 ALDH1A1 (0.41) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL5598574 0.68 KDM4E (0.44) KDM4EALDH1A1MAPTMEN1KMT2A
Quinoxaline SCHEMBL5268892 0.67 ALDH1A1 (0.35) KDM4EALDH1A1MAPTMEN1USP2
SCHEMBL6870185 0.65 ALDH1A1 (0.52) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL12891112 0.65
SCHEMBL5894605 0.65 TDP1 (0.31) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL240893 0.65 ALDH1A1 (0.38) KDM4EALDH1A1MAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2017-04-20 US disclosed
US-9522903-B2 Multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC. (US) 2016-12-20 US disclosed
EP-2649048-B1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC (US) 2016-03-30 EP disclosed
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2015-11-26 US disclosed
US-9102659-B2 Multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC. (US) 2015-08-11 US disclosed
US-20130338146-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC. (US) 2013-12-19 US disclosed
EP-2649048-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF Radikal Therapeutics Inc. (US) 2013-10-16 EP disclosed
WO-2012077108-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC. (US) 2012-06-14 WO 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 (3 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-20130338146-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 KDM4E 1377/4885ALDH1A1 1804/4885MAPT 2271/4885
US-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOS1 KDM4E 1061/4885ALDH1A1 1794/4885MAPT 2036/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 KDM4E 1377/4885ALDH1A1 1804/4885MAPT 2271/4885

“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.