SCHEMBL9901887

SCHEMBL9901887

[O-][n+]1cccc2cc3cccnc3cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
POLB P06746 2/20 0.43
RAB9A P51151 2/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
CASP6 P55212 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HTT P42858 3/20 0.41
ATM Q13315 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR4A2 P43354 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL4779709 0.81 NPC1 (0.44) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL29364156 0.80 ALDH1A1 (0.41) NPC1POLBRAB9AALDH1A1HTT
SCHEMBL247478 0.80 ALDH1A1 (0.41) NPC1POLBRAB9AALDH1A1HTT
SCHEMBL14742904 0.75 ATM (0.54) NPC1RAB9AALDH1A1HTTATM
SCHEMBL18782550 0.75 ATM (0.46) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL6647315 0.74 NPC1 (0.62) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL13156510 0.72 NPC1 (0.60) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL13156520 0.72 NPC1 (0.60) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL12532559 0.72 NPC1 (0.60) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL18700662 0.72 NPC1 (0.60) NPC1POLBRAB9APDGFRBPDGFRA

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 NPC1 1190/4885POLB 2898/4885RAB9A 1525/4885
US-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOS1 NPC1 1245/4885POLB 2803/4885RAB9A 1538/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 NPC1 1190/4885POLB 2898/4885RAB9A 1525/4885

“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.