SCHEMBL2236095

SCHEMBL2236095

ON=Cc1ncccc1F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTH P32929 3/20 0.53
FGF23 Q9GZV9 1/20 0.44
NFE2L2 Q16236 13/20 0.42
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL2236093 1.00 CTH (0.53) CTHFGF23NFE2L2ALDH1A1LMNA
SCHEMBL20913089 1.00 CTH (0.53) CTHFGF23NFE2L2ALDH1A1LMNA
SCHEMBL30139582 1.00 CTH (0.53) CTHFGF23NFE2L2ALDH1A1LMNA
SCHEMBL18828103 0.80 CTH (0.53) CTHNFE2L2LMNARAB9ASMN1; SMN2
SCHEMBL22579089 0.80 CTH (0.53) CTHNFE2L2LMNARAB9ASMN1; SMN2
SCHEMBL20597363 0.78 FGF23 (0.61) CTHFGF23ALDH1A1LMNAUSP2
SCHEMBL29402625 0.78 FGF23 (0.45) CTHFGF23ALDH1A1LMNARAB9A
SCHEMBL16712006 0.78 FGF23 (0.45) CTHFGF23ALDH1A1LMNARAB9A
SCHEMBL28350245 0.77
SCHEMBL21645883 0.76 CTH (0.54) CTHFGF23ALDH1A1RAB9ASMN1; SMN2

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 27 patents — showing the first 20. 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
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
EP-3271350-A1 SUBSTITUTED PYRIMIDINYLOXY PYRIDINE DERIVATIVES AS HERBICIDES E. I. du Pont de Nemours and Company (US) 2018-01-24 EP disclosed
WO-2016149315-A1 SUBSTITUTED PYRIMIDINYLOXY PYRIDINE DERIVATIVES AS HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2016-09-22 WO disclosed
CN-102395583-B Isoxazole derivatives HOFFMANN LA ROCHE 2015-04-01 CN disclosed
EP-2533642-A1 BENZISOXAZOLES AND AZABENZISOXAZOLES AS mgluR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION Vanderbilt University (US) 2012-12-19 EP disclosed
WO-2011100614-A1 BENZISOXAZOLES AND AZABENZISOXAZOLES AS mgluR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2011-08-18 WO disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
EP-1877399-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-01-16 EP disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 WO disclosed
US-7037921-B2 Useful for inhibiting resistant neoplasms where the resistance is conferred in part or in total by multidrug resistance protein MRP1 ELI LILLY AND COMPANY (US) 2006-05-02 US disclosed
EP-1392702-B1 COMPOUNDS AND METHODS FOR INHIBITING MRP1 LILLY CO ELI (US) 2005-11-30 EP disclosed
US-20040097507-A1 Compounds and methods for inhibiting mrp1 BONJOUKLIAN ROSANNE (US) 2004-05-20 US disclosed
EP-1392702-A1 COMPOUNDS AND METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002081482-A1 COMPOUNDS AND METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-17 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 (4 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-20040097507-A1 Compounds and methods for inhibiting mrp1 ABCC1, ABCB1, ABCB11 CTH 2237/4885FGF23 4540/4885NFE2L2 967/4885
US-20200255399-A1 6-SUBSTITUTED 3-FLUORO-2-PYRIDINALDOXIME, 3-FLUORO-2-PYRIDINE HYDROXAMIC ACID, AND 3-FLUORO-2-PYRIDINAMIDOXIME SCAFFOLDS PNPO, ACHE, PSEN2 CTH 1040/4885FGF23 1239/4885NFE2L2 901/4885
US-11370772-B2 6-Substituted 3-Fluoro-2-Pyridinaldoxime, 3-Fluoro-2-pyridine hydroxamic acid, and 3-Fluoro-2-Pyridinamidoxime scaffolds PNPO, ACHE, PSEN2 CTH 1040/4885FGF23 1239/4885NFE2L2 901/4885
US-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 CTH 1563/4885FGF23 2246/4885NFE2L2 1493/4885

“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.