SCHEMBL20913074

SCHEMBL20913074

C#CC1CN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
CYP2C19 P33261 1/20 0.57
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTT P42858 1/20 0.48
HTR2C P28335 1/20 0.48
GRIN2B Q13224 3/20 0.45
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
TGM1 P22735 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
P2RX4 Q99571 1/20 0.44
ENPP2 Q13822 1/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL21497616 0.86 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14539329 0.85 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1902866 0.84 CYP17A1 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL28641961 0.84 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL206638 0.83 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL29072008 0.82 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL29072007 0.82 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL29619469 0.82 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2621382 0.81 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL70762 0.81 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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
EP-3697769-B1 6-SUBSTITUTED 3-FLUORO-2-PYRIDINALDOXIME, 3-FLUORO-2-PYRIDINE HYDROXAMIC ACID, AND 3-FLUORO-2-PYRIDINAMIDOXIME SCAFFOLDS CENTRE NAT RECH SCIENT (FR) 2023-02-15 EP disclosed
US-11370772-B2 6-Substituted 3-Fluoro-2-Pyridinaldoxime, 3-Fluoro-2-pyridine hydroxamic acid, and 3-Fluoro-2-Pyridinamidoxime scaffolds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-06-28 US disclosed
US-11370772-B2 6-Substituted 3-Fluoro-2-Pyridinaldoxime, 3-Fluoro-2-pyridine hydroxamic acid, and 3-Fluoro-2-Pyridinamidoxime scaffolds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-06-28 US disclosed
EP-3697769-A1 6-SUBSTITUTED 3-FLUORO-2-PYRIDINALDOXIME, 3-FLUORO-2-PYRIDINE HYDROXAMIC ACID, AND 3-FLUORO-2-PYRIDINAMIDOXIME SCAFFOLDS Centre National De La Recherche Scientifique (FR) 2020-08-26 EP disclosed
US-20200255399-A1 6-SUBSTITUTED 3-FLUORO-2-PYRIDINALDOXIME, 3-FLUORO-2-PYRIDINE HYDROXAMIC ACID, AND 3-FLUORO-2-PYRIDINAMIDOXIME SCAFFOLDS UNIVERSITÉ DE STRASBOURG (50%) (FR) 2020-08-13 US disclosed
US-20200255399-A1 6-SUBSTITUTED 3-FLUORO-2-PYRIDINALDOXIME, 3-FLUORO-2-PYRIDINE HYDROXAMIC ACID, AND 3-FLUORO-2-PYRIDINAMIDOXIME SCAFFOLDS UNIVERSITÉ DE STRASBOURG (50%) (FR) 2020-08-13 US disclosed
WO-2019076986-A1 6-SUBSTITUTED 3-FLUORO-2-PYRIDINALDOXIME, 3-FLUORO-2-PYRIDINE HYDROXAMIC ACID, AND 3-FLUORO-2-PYRIDINAMIDOXIME SCAFFOLDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-04-25 WO disclosed
EP-3473618-A1 6-SUBSTITUTED 3-FLUORO-2-PYRIDINALDOXIME, 3-FLUORO-2-PYRIDINE HYDROXAMIC ACID, AND 3-FLUORO-2-PYRIDINAMIDOXIME SCAFFOLDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-04-24 EP 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 (2 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-20200255399-A1 6-SUBSTITUTED 3-FLUORO-2-PYRIDINALDOXIME, 3-FLUORO-2-PYRIDINE HYDROXAMIC ACID, AND 3-FLUORO-2-PYRIDINAMIDOXIME SCAFFOLDS PNPO, ACHE, PSEN2 SMN1; SMN2 6/4885NPC1 2741/4885RAB9A 2039/4885
US-11370772-B2 6-Substituted 3-Fluoro-2-Pyridinaldoxime, 3-Fluoro-2-pyridine hydroxamic acid, and 3-Fluoro-2-Pyridinamidoxime scaffolds PNPO, ACHE, PSEN2 SMN1; SMN2 6/4885NPC1 2741/4885RAB9A 2039/4885

“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.