SCHEMBL9902315

SCHEMBL9902315

N=C(Nc1ccncc1)NC1CCCN(O)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 3/20 0.49
▸ NAMPT P43490 4/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ MDM2 Q00987 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ TSHR P16473 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
SCHEMBL9903173 0.94 EPHX1 (0.47) EPHX1NAMPTEPHX2ALDH1A1L3MBTL1
SCHEMBL9902595 0.86 SMN1; SMN2 (0.47) EPHX1EPHX2ALDH1A1MAPTGAA
SCHEMBL9902968 0.86 EPHX1 (0.41) EPHX1NAMPTEPHX2L3MBTL1MAPK1
SCHEMBL9903230 0.85 ALDH1A1 (0.54) EPHX2ALDH1A1POLB
SCHEMBL9901315 0.80 ALDH1A1 (0.50) EPHX1EPHX2ALDH1A1MAPTL3MBTL1
SCHEMBL9902657 0.78 ALDH1A1 (0.52) EPHX2ALDH1A1POLB
SCHEMBL9901463 0.78 ALDH1A1 (0.53) EPHX2ALDH1A1MAPTGAA
SCHEMBL17271394 0.75 ALDH1A1 (0.32) EPHX1EPHX2ALDH1A1RAB9ATSHR
SCHEMBL9901557 0.71 CTSL (0.46) EPHX1EPHX2ALDH1A1MAPTRAB9A
SCHEMBL9903243 0.71 KDM4E (0.58) EPHX1EPHX2ALDH1A1L3MBTL1GAA

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 1397/4885NAMPT 1517/4885EPHX2 2467/4885
US-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOS1 EPHX1 1256/4885NAMPT 1342/4885EPHX2 2392/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 EPHX1 1397/4885NAMPT 1517/4885EPHX2 2467/4885

“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