SCHEMBL5958366

SCHEMBL5958366

CC(C)(C)c1ncccc1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
NFE2L2 Q16236 8/20 0.35
KDM4E B2RXH2 3/20 0.34
MPI P34949 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33

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
SCHEMBL1331832 0.83 MAPT (0.35) TRPV1NFE2L2KDM4EMPIL3MBTL1
SCHEMBL23126660 0.83 ACSS2 (0.36) TRPV1NFE2L2KDM4EMPIL3MBTL1
SCHEMBL12293799 0.83 MAPT (0.35) TRPV1NFE2L2KDM4EMPIL3MBTL1
SCHEMBL18506051 0.81 ACSS2 (0.33) TRPV1NFE2L2KDM4EMPIL3MBTL1
SCHEMBL22113840 0.79 TDP1 (0.35) TRPV1NFE2L2L3MBTL1ACSS2
SCHEMBL3914027 0.79 NFE2L2 (0.33) TRPV1NFE2L2KDM4EMPIL3MBTL1
SCHEMBL9065844 0.79 NFE2L2 (0.38) NFE2L2KDM4EMPIL3MBTL1HTT
SCHEMBL30345232 0.79 NFE2L2 (0.38) NFE2L2KDM4EMPIL3MBTL1HTT
SCHEMBL24608544 0.78 ACSS2 (0.34) TRPV1KDM4EMPIL3MBTL1ALDH1A1
SCHEMBL24608546 0.78 NFE2L2 (0.37) TRPV1NFE2L2MAPTHTTACSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 US disclosed
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-20230227428-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-20230227428-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-11702401-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2023-07-18 US disclosed
US-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS CELLECTIS (FR) 2010-01-28 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-7557213-B2 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2009-07-07 US disclosed
US-7557213-B2 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2009-07-07 US disclosed
US-7371752-B2 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION (US) 2008-05-13 US disclosed
US-7371752-B2 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION (US) 2008-05-13 US disclosed
US-7262210-B2 Fluorinated pyridine N-oxide thrombin modulators and process for N-oxidation of nitrogen containing heteroaryls JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-28 US disclosed
US-7262210-B2 Fluorinated pyridine N-oxide thrombin modulators and process for N-oxidation of nitrogen containing heteroaryls JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-28 US disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 TRPV1 4187/4885NFE2L2 3308/4885KDM4E 1096/4885
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS CBR3, GBA3, TECR TRPV1 3268/4885NFE2L2 1935/4885KDM4E 3349/4885
US-11702401-B2 Compounds and methods of use TGFB2, TGFB1, HDGF TRPV1 4816/4885NFE2L2 1565/4885KDM4E 1713/4885
US-20230227428-A1 AMIDO COMPOUNDS RIPK1, RIPK3, MLKL TRPV1 1970/4885NFE2L2 2700/4885KDM4E 3134/4885
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS BCLAF1, EED, BCL3 TRPV1 4880/4885NFE2L2 365/4885KDM4E 410/4885
US-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF TGFB1, TGFB2, TGFBR1 TRPV1 4686/4885NFE2L2 259/4885KDM4E 2588/4885
US-20070167443-A1 Substituted quinolones and methods of use TOP2A, NQO2, TOP2B TRPV1 4795/4885NFE2L2 948/4885KDM4E 2670/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 TRPV1 398/4885NFE2L2 86/4885KDM4E 2311/4885
US-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS AR, SHBG, CYP17A1 TRPV1 305/4885NFE2L2 3595/4885KDM4E 2157/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 TRPV1 4779/4885NFE2L2 2428/4885KDM4E 4019/4885

“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.