SCHEMBL17271394

SCHEMBL17271394

N=C(Nc1ccc[n+]([O-])c1)NC1CCCN(O)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ FNTA P49354 1/20 0.30
▸ FNTB P49356 1/20 0.30
▸ TSHR P16473 1/20 0.30

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 0.82 SMN1; SMN2 (0.47) ALDH1A1EPHX1EPHX2RAB9ASMN1; SMN2
SCHEMBL9903633 0.78 DRD4 (0.39) ALDH1A1SMN1; SMN2TSHR
SCHEMBL9901315 0.77 ALDH1A1 (0.50) ALDH1A1EPHX1EPHX2RAB9ASMN1; SMN2
SCHEMBL9903230 0.76 ALDH1A1 (0.54) ALDH1A1EPHX2
SCHEMBL9902315 0.75 EPHX1 (0.49) ALDH1A1EPHX1EPHX2RAB9ATSHR
SCHEMBL9902657 0.70 ALDH1A1 (0.52) ALDH1A1EPHX2
SCHEMBL9901463 0.70 ALDH1A1 (0.53) ALDH1A1EPHX2SMN1; SMN2
SCHEMBL9902047 0.70 MAPK1 (0.38) ALDH1A1EPHX1SMN1; SMN2TSHR
SCHEMBL9901557 0.69 CTSL (0.46) ALDH1A1EPHX1EPHX2RAB9ASMN1; SMN2
SCHEMBL9903173 0.69 EPHX1 (0.47) ALDH1A1EPHX1EPHX2TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522903-B2 Multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC. (US) 2016-12-20 — — US disclosed
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2015-11-26 — — US 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-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 ALDH1A1 1804/4885EPHX1 1397/4885EPHX2 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