SCHEMBL9902487

SCHEMBL9902487

N=C(Nc1cccnc1)NC1CCN(O)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL9902657 0.92 ALDH1A1 (0.52) ALDH1A1EPHX2POLB
SCHEMBL9903230 0.88 ALDH1A1 (0.54) ALDH1A1EPHX2POLB
SCHEMBL14045968 0.86 EPHX2 (0.48) ALDH1A1EPHX2POLBNPC1PKM
SCHEMBL9902968 0.84 EPHX1 (0.41) EPHX2
SCHEMBL9901557 0.84 CTSL (0.46) ALDH1A1EPHX2NPC1RAB9A
SCHEMBL9903173 0.75 EPHX1 (0.47) ALDH1A1EPHX2
SCHEMBL9901315 0.75 ALDH1A1 (0.50) ALDH1A1EPHX2POLBRAB9A
SCHEMBL9902315 0.71 EPHX1 (0.49) ALDH1A1EPHX2POLBPKMRAB9A
SCHEMBL358834 0.71 EPHX2 (0.66) ALDH1A1EPHX2POLBNPC1PKM
SCHEMBL14392384 0.71 EPHX2 (0.48) ALDH1A1EPHX2POLBNPC1PKM

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 5 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
EP-2649048-B1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC (US) 2016-03-30 — — EP 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 (1 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 ALDH1A1 1794/4885EPHX2 2392/4885POLB 2803/4885

“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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