SCHEMBL1004510

SCHEMBL1004510

O=C(NC(F)(F)C(F)(F)F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
POLB P06746 2/20 0.50
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
IDO1 P14902 1/20 0.50
ALOX15 P16050 1/20 0.50
HDAC1 Q13547 1/20 0.50
CA9 Q16790 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
CES1 P23141 1/20 0.48
P2RX1 P51575 1/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL118008 0.83 HDAC3 (0.54) NPC1RAB9APOLBHDAC3CA12
SCHEMBL16879817 0.82 NPC1 (0.49) NPC1RAB9APOLBHDAC3CA12
SCHEMBL8526116 0.81 POLB (0.49) NPC1RAB9APOLBHDAC3CA12
Hydrochloric Acid SCHEMBL5168768 0.81 HDAC3 (0.52) NPC1RAB9APOLBHDAC3CA12
Hydrochloric Acid SCHEMBL4002564 0.81 HDAC3 (0.52) NPC1RAB9APOLBHDAC3CA12
Hydrochloric Acid SCHEMBL1268649 0.81 HDAC3 (0.52) NPC1RAB9APOLBHDAC3CA12
SCHEMBL4033532 0.79 POLB (0.54) NPC1RAB9APOLBHDAC3CA12
SCHEMBL28646933 0.78 ALOX15 (0.58) NPC1RAB9APOLBHDAC3CA12
Trifluoroacetic Acid SCHEMBL3994638 0.78 CES1 (0.52) NPC1RAB9APOLBHDAC3CA12
Phosphoric Acid SCHEMBL17592468 0.78 POLB (0.49) NPC1RAB9APOLBHDAC3CA12

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347584-A1 N-(HYDROXYALKYL (HETERO)ARYL) TETRAHYDROFURAN CARBOXAMIDE ANALOGS AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
US-11673864-B2 Pyridone amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-06-13 US disclosed
WO-2022256679-A1 N-(HYDROXYALKYL (HETERO)ARYL) TETRAHYDROFURAN CARBOXAMIDE ANALOGS AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-12-08 WO disclosed
US-20210047271-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2021-02-18 US disclosed
US-10738009-B2 Pyridone amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-08-11 US disclosed
US-20190248745-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2019-08-15 US disclosed
US-10087143-B2 Pyridone amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-10-02 US disclosed
CN-108164457-A Pyridine keto-amide as sodium channel modulators 沃泰克斯药物股份有限公司 2018-06-15 CN disclosed
CN-105026373-B Pyridone amides as sodium channel modulators 沃泰克斯药物股份有限公司 2018-03-30 CN disclosed
US-20180016235-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2018-01-18 US disclosed
US-9393235-B2 Pyridone amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-07-19 US disclosed
US-20150246028-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2015-09-03 US disclosed
WO-2015089361-A1 PRODRUGS OF PYRIDONE AMIDES USEFUL AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-18 WO disclosed
US-9051270-B2 Pyridone amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-09 US disclosed
US-20140213616-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-31 US disclosed
US-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 US disclosed
WO-2011008664-A2 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2011-01-20 WO disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 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 (10 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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B NPC1 460/4885RAB9A 4789/4885POLB 2244/4885
US-20180016235-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, KCNJ2 NPC1 2284/4885RAB9A 3216/4885POLB 4340/4885
US-20150246028-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, KCNJ2 NPC1 2284/4885RAB9A 3216/4885POLB 4340/4885
US-20140213616-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, KCNJ2 NPC1 2284/4885RAB9A 3216/4885POLB 4340/4885
US-10738009-B2 Pyridone amides as modulators of sodium channels SCN5A, SCN1A, KCNJ2 NPC1 2284/4885RAB9A 3216/4885POLB 4340/4885
US-20210047271-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, KCNJ2 NPC1 2284/4885RAB9A 3216/4885POLB 4340/4885
US-11673864-B2 Pyridone amides as modulators of sodium channels SCN5A, SCN1A, KCNJ2 NPC1 2284/4885RAB9A 3216/4885POLB 4340/4885
US-10087143-B2 Pyridone amides as modulators of sodium channels SCN5A, SCN1A, KCNJ2 NPC1 2284/4885RAB9A 3216/4885POLB 4340/4885
US-20190248745-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, KCNJ2 NPC1 2284/4885RAB9A 3216/4885POLB 4340/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B NPC1 460/4885RAB9A 4789/4885POLB 2244/4885

“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.