SCHEMBL9902885

SCHEMBL9902885

CC1(C)CCC(NC(=NC#N)Nc2cccnc2Cl)CC(C)(C)N1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ P2RX7 Q99572 3/20 0.34
▸ P2RX4 Q99571 1/20 0.34
▸ KCNJ11 Q14654 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ NPC1 O15118 4/20 0.32
▸ RAB9A P51151 4/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ MAPT P10636 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL17271385 1.00 KMT2A (0.40) KMT2AKDM4EGAAP2RX7P2RX4
SCHEMBL9902232 0.89 KDM4E (0.38) KMT2AKDM4EGAAP2RX7
SCHEMBL9902787 0.89 KDM4E (0.38) KMT2AKDM4EGAAP2RX7
SCHEMBL17271386 0.89 KDM4E (0.38) KMT2AKDM4EGAAP2RX7
SCHEMBL9902233 0.89 KDM4E (0.38) KMT2AKDM4EGAAP2RX7
SCHEMBL17271397 0.86 GAA (0.36) KMT2AKDM4EGAAP2RX7ALDH1A1
SCHEMBL17271396 0.86 GAA (0.36) KMT2AKDM4EGAAP2RX7ALDH1A1
SCHEMBL9902131 0.83 KMT2A (0.35) KMT2AKDM4EGAAP2RX7P2RX4
SCHEMBL16994508 0.83 KDM4E (0.44) KMT2AKDM4EGAAALDH1A1RAB9A
SCHEMBL16994501 0.82 P2RX7 (0.39) KMT2AKDM4EGAAP2RX7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522903-B2 Multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC. (US) 2016-12-20 — — US claimed
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2015-11-26 — — US claimed
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 KMT2A 3506/4885KDM4E 1377/4885GAA 1484/4885
US-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOS1 KMT2A 3054/4885KDM4E 1061/4885GAA 1833/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 KMT2A 3506/4885KDM4E 1377/4885GAA 1484/4885

“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.

Send feedback