SCHEMBL9901315

SCHEMBL9901315

N=C(Nc1ccccc1)NC1CCN(O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ KMT2A Q03164 5/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ EPHX2 P34913 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ EPHX1 P07099 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSC P53634 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ HTR1E P28566 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9902595 0.94 SMN1; SMN2 (0.47) ALDH1A1KMT2AMAPK1DRD2DRD4
SCHEMBL9901557 0.91 CTSL (0.46) ALDH1A1KMT2AMAPK1DRD2DRD4
SCHEMBL9903173 0.84 EPHX1 (0.47) ALDH1A1MAPK1EPHX2EPHX1L3MBTL1
SCHEMBL9902657 0.83 ALDH1A1 (0.52) ALDH1A1EPHX2POLB
SCHEMBL9902315 0.80 EPHX1 (0.49) ALDH1A1MAPK1EPHX2EPHX1RAB9A
SCHEMBL9903230 0.79 ALDH1A1 (0.54) ALDH1A1EPHX2POLB
SCHEMBL9902992 0.78 ALDH1A1 (0.51) ALDH1A1KMT2ADRD2DRD4DRD3
SCHEMBL17271394 0.77 ALDH1A1 (0.32) ALDH1A1EPHX2SMN1; SMN2EPHX1RAB9A
SCHEMBL9902968 0.76 EPHX1 (0.41) MAPK1EPHX2EPHX1CTSLCTSB
SCHEMBL9902487 0.75 ALDH1A1 (0.47) ALDH1A1EPHX2RAB9APOLB

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 ALDH1A1 1804/4885KMT2A 3506/4885MAPK1 831/4885
US-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOS1 ALDH1A1 1794/4885KMT2A 3054/4885MAPK1 758/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 ALDH1A1 1804/4885KMT2A 3506/4885MAPK1 831/4885

“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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