SCHEMBL9903173

SCHEMBL9903173

N=C(Nc1ccncc1)NC1CCN(O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.47
▸ EPHX2 P34913 4/20 0.38
▸ MDM2 Q00987 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ ROCK2 O75116 3/20 0.35
▸ ROCK1 Q13464 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NAMPT P43490 3/20 0.34
▸ RPS6KA5 O75582 2/20 0.33
▸ PKN2 Q16513 2/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK2 P24941 1/20 0.33

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
SCHEMBL9902315 0.94 EPHX1 (0.49) EPHX1EPHX2MDM2ALDH1A1SIGMAR1
SCHEMBL9902968 0.91 EPHX1 (0.41) EPHX1EPHX2MDM2SIGMAR1TDP1
SCHEMBL9901315 0.84 ALDH1A1 (0.50) EPHX1EPHX2ALDH1A1TDP1L3MBTL1
SCHEMBL9902657 0.83 ALDH1A1 (0.52) EPHX2ALDH1A1
SCHEMBL9902595 0.79 SMN1; SMN2 (0.47) EPHX1EPHX2ALDH1A1TDP1TSHR
SCHEMBL9903230 0.79 ALDH1A1 (0.54) EPHX2ALDH1A1
SCHEMBL9901557 0.76 CTSL (0.46) EPHX1EPHX2ALDH1A1MAPK1
SCHEMBL9903243 0.75 KDM4E (0.58) EPHX1EPHX2MDM2ALDH1A1ROCK2
SCHEMBL9902992 0.75 ALDH1A1 (0.51) EPHX2ALDH1A1HTT
SCHEMBL9902487 0.75 ALDH1A1 (0.47) EPHX2ALDH1A1

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 9 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
CN-103347856-A Multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC 2013-10-09 — — CN 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 EPHX1 1397/4885EPHX2 2467/4885MDM2 3271/4885
US-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOS1 EPHX1 1256/4885EPHX2 2392/4885MDM2 3063/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 EPHX1 1397/4885EPHX2 2467/4885MDM2 3271/4885

“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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