SCHEMBL3402629

SCHEMBL3402629

O=C(N[C@@H]1CCNC1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.45
HDAC4 P56524 3/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
HPSE Q9Y251 1/20 0.39
KCNH2 Q12809 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
KDM1A O60341 1/20 0.37
SSTR1 P30872 2/20 0.36
SSTR4 P31391 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
PARP1 P09874 1/20 0.34

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
SCHEMBL1029383 1.00 EPHX1 (0.45) EPHX1HDAC4POLBPKMPDK1
SCHEMBL3405244 1.00 EPHX1 (0.45) EPHX1HDAC4POLBPKMPDK1
Hydrochloric Acid SCHEMBL1873541 0.98 EPHX1 (0.44) EPHX1HDAC4POLBPKMPDK1
Hydrochloric Acid SCHEMBL1027224 0.98 EPHX1 (0.44) EPHX1HDAC4POLBPKMPDK1
Hydrochloric Acid SCHEMBL1878764 0.98 EPHX1 (0.44) EPHX1HDAC4POLBPKMPDK1
SCHEMBL5347904 0.89 MAPK1 (0.43) EPHX1HDAC4PKMPDK1PDK2
SCHEMBL5347905 0.89 MAPK1 (0.43) EPHX1HDAC4PKMPDK1PDK2
SCHEMBL5113323 0.89 MAPK1 (0.43) EPHX1HDAC4PKMPDK1PDK2
SCHEMBL4374405 0.88 EPHX1 (0.59) EPHX1HDAC4POLBPKMPDK1
Hydrochloric Acid SCHEMBL439397 0.86 EPHX1 (0.57) EPHX1HDAC4POLBPKMPDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017120164-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2017-07-13 WO disclosed
EP-2254893-A1 NOVEL 7-SUBSTITUTED DERIVATIVES OF 3-CARBOXY-OXADIAZINO-QUINOLONES, PREPARATION THEREOF AND USE THEREOF AS ANTI-BACTERIAL AGENTS VETOQUINOL S.A. (FR) 2010-12-01 EP disclosed
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 US disclosed
WO-2009106967-A1 NOVEL 7-SUBSTITUTED DERIVATIVES OF 3-CARBOXY-OXADIAZINO-QUINOLONES, PREPARATION THEREOF AND USE THEREOF AS ANTI-BACTERIAL AGENTS VETOQUINOL SA (FR) 2009-09-03 WO disclosed
US-7456203-B2 Muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
US-7456203-B2 Muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-7238709-B2 Therapeutic carbamates THERAVANCE, INC. (US) 2007-07-03 US disclosed
WO-2007062316-A2 TRANS-3,5-DISUBSTITUTEDPYRROLIDINE: ORGANOCATALYST FOR ANTI-MANNICH REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-31 WO disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP disclosed
US-20070117986-A1 TRANS-3,5-DISUBSTITUTEDPYRROLIDINE: ORGANOCATALYST FOR anti-MANNICH REACTIONS THE SCRIPPS RESEARCH INSTITUTE 2007-05-24 US disclosed
EP-1233013-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2007-02-28 EP disclosed
US-7067509-B2 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-06-27 US disclosed
US-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-23 US disclosed
US-20040192926-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2004-09-30 US disclosed
WO-2004080411-A2 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO disclosed
WO-2003053915-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2003-07-03 WO disclosed
WO-2003015778-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-27 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 (5 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A EPHX1 2951/4885HDAC4 76/4885POLB 972/4885
US-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R EPHX1 1321/4885HDAC4 3175/4885POLB 4686/4885
US-20070117986-A1 TRANS-3,5-DISUBSTITUTEDPYRROLIDINE: ORGANOCATALYST FOR anti-MANNICH REACTIONS HRH4, NR1I3, NR1I2 EPHX1 2667/4885HDAC4 539/4885POLB 3968/4885
US-20040192926-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 EPHX1 2048/4885HDAC4 2469/4885POLB 2548/4885
US-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 EPHX1 3426/4885HDAC4 1611/4885POLB 3712/4885

“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.