SCHEMBL16994512

SCHEMBL16994512

CC1(C)CC(N/C(=N/C#N)Nc2ccccc2)C(C)(C)N1O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.39
▸ ABCC9 O60706 1/20 0.33
▸ KCNJ11 Q14654 1/20 0.33
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSC P53634 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ EPHX2 P34913 1/20 0.30

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
SCHEMBL17271378 1.00 P2RX7 (0.39) P2RX7ABCC9KCNJ11CTSLCTSB
SCHEMBL16994500 0.88 P2RX7 (0.39) P2RX7ABCC9KCNJ11KMT2AKDM4E
SCHEMBL16994496 0.88 P2RX7 (0.39) P2RX7KMT2AGAASMN1; SMN2MAPT
SCHEMBL9905805 0.88 P2RX7 (0.39) P2RX7ABCC9KCNJ11KMT2AKDM4E
SCHEMBL9905806 0.88 P2RX7 (0.39) P2RX7ABCC9KCNJ11KMT2AKDM4E
SCHEMBL9901674 0.88 FPR2 (0.34) KDM4ESMN1; SMN2
SCHEMBL16994514 0.87 P2RX7 (0.43) P2RX7KMT2AGAASMN1; SMN2MEN1
SCHEMBL19668355 0.87 P2RX7 (0.43) P2RX7ABCC9KCNJ11KMT2AKDM4E
SCHEMBL16994485 0.87 P2RX7 (0.43) P2RX7ABCC9KCNJ11KMT2AKDM4E
SCHEMBL9901441 0.85 P2RX7 (0.43) P2RX7ABCC9KCNJ11CTSLCTSB

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 4 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOS1 P2RX7 348/4885ABCC9 798/4885KCNJ11 84/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 P2RX7 412/4885ABCC9 799/4885KCNJ11 99/4885

“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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