SCHEMBL9902117

SCHEMBL9902117

N=C(Nc1ccccn1)NC1CCN(O)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ PKM P14618 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9902992 0.92 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2DRD2DRD4DRD3
SCHEMBL9901463 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2DRD2DRD4DRD3
SCHEMBL9901557 0.79 CTSL (0.46) ALDH1A1SMN1; SMN2DRD2DRD4DRD3
SCHEMBL9902487 0.75 ALDH1A1 (0.47) ALDH1A1NPC1RAB9APKM
SCHEMBL1913132 0.71 DRD2 (0.63) SMN1; SMN2DRD2DRD4DRD3NOS2
SCHEMBL9901315 0.70 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2DRD2DRD4DRD3
SCHEMBL9902320 0.68 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1912176 0.68 HPGD (0.44) SMN1; SMN2MEN1KMT2AGAA
SCHEMBL4541072 0.67 NPC1 (0.55) ALDH1A1SMN1; SMN2MAPTMEN1HTT
SCHEMBL9902996 0.67 MEN1 (0.46) ALDH1A1SMN1; SMN2DRD2DRD4DRD3

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 ALDH1A1 1804/4885SMN1; SMN2 3467/4885DRD2 1990/4885
US-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOS1 ALDH1A1 1794/4885SMN1; SMN2 3222/4885DRD2 1521/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 ALDH1A1 1804/4885SMN1; SMN2 3467/4885DRD2 1990/4885

“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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