SCHEMBL5264685

SCHEMBL5264685

O=C(O)[C@@H]1C[C@H]1c1ccc(Br)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.58
KDM1B Q8NB78 1/20 0.58
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
DGAT1 O75907 1/20 0.41
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 0.40
GRK2 P25098 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FFAR1 O14842 2/20 0.36
SLC9A1 P19634 1/20 0.36

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
SCHEMBL4716381 1.00 KDM1A (0.58) KDM1AKDM1BCYP4F2CYP4A11DGAT1
SCHEMBL14690279 0.87 KDM1A (0.42) KDM1AKDM1BCYP4F2CYP4A11DGAT1
SCHEMBL17003046 0.87 KDM1A (0.42) KDM1AKDM1BCYP4F2CYP4A11DGAT1
SCHEMBL15541789 0.83 HTR2A (0.49) KDM1AKDM1BCYP4F2CYP4A11TDP1
SCHEMBL11902614 0.83 HTR2A (0.49) KDM1AKDM1BCYP4F2CYP4A11TDP1
SCHEMBL11902326 0.83 HTR2A (0.49) KDM1AKDM1BCYP4F2CYP4A11TDP1
SCHEMBL17385720 0.82 CYP4F2 (0.44) KDM1AKDM1BCYP4F2CYP4A11FFAR1
SCHEMBL4714304 0.82 KDM1A (0.53) KDM1AKDM1BDGAT1TDP1L3MBTL1
SCHEMBL4717194 0.82 KDM1A (0.53) KDM1AKDM1BDGAT1TDP1L3MBTL1
SCHEMBL5643859 0.82 KDM1A (0.53) KDM1AKDM1BDGAT1ALDH1A1NPC1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836180-B1 SULFONYL PYRROLIDINES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS DRUGS SANOFI SA (FR) 2012-06-13 EP disclosed
US-20090105479-A1 4-Oxo-1-3-Substituted Phenyl-1,4-Dihydro-1,8-Napthyridene-3-Carboxamide Phosphodiesterase-4 Inhibitor and a Method of Preparing Same MERCK & CO., INC. (US) 2009-04-23 US disclosed
US-20090105479-A1 4-Oxo-1-3-Substituted Phenyl-1,4-Dihydro-1,8-Napthyridene-3-Carboxamide Phosphodiesterase-4 Inhibitor and a Method of Preparing Same MERCK & CO., INC. (US) 2009-04-23 US disclosed
US-20080070940-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitor and a method of preparing same DUBE DANIEL 2008-03-20 US disclosed
US-20080070940-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitor and a method of preparing same DUBE DANIEL 2008-03-20 US disclosed
EP-1836180-A2 SULFONYL PYRROLIDINES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS DRUGS sanofi-aventis (FR) 2007-09-26 EP disclosed
EP-1633306-A4 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO INC (US) 2007-05-16 EP disclosed
WO-2007048225-A1 A 4-OXO-1- (3-SUBSTITUTED PHENYL) -1, 4-DIHYDRO-1, 8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4-INHIBITOR AND A METHOD OF PREPARING SAME MERCK FROSST CANADA LTD. (CA) 2007-05-03 WO disclosed
WO-2007050576-A2 A METHOD OF PREPARING A 4-OXO-1- (3 SUBSTITUTED PHENYL) -1, 4-DIHYDRO-1, 8-NAPHTHYRIDINE-3- CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITOR MERCK & CO., INC. (US) 2007-05-03 WO disclosed
US-20070099951-A1 4-oxo-1-(3-substituted phenyl)-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitor and a method of preparing same DUBE DANIEL 2007-05-03 US disclosed
US-20070099951-A1 4-oxo-1-(3-substituted phenyl)-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitor and a method of preparing same DUBE DANIEL 2007-05-03 US disclosed
WO-2006072393-A2 SULFONYL PYRROLIDINES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS DRUGS SANOFI-AVENTIS (DE) 2006-07-13 WO disclosed
EP-1633306-A2 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS Merck & Co., Inc. (US) 2006-03-15 EP disclosed
WO-2004105698-A2 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO., INC. (US) 2004-12-09 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 (3 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-20070099951-A1 4-oxo-1-(3-substituted phenyl)-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitor and a method of preparing same PDE4A, PDE12, PDE4B KDM1A 713/4885KDM1B 1337/4885CYP4F2 177/4885
US-20080070940-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitor and a method of preparing same PDE4A, PDE12, PDE4B KDM1A 613/4885KDM1B 1290/4885CYP4F2 163/4885
US-20090105479-A1 4-Oxo-1-3-Substituted Phenyl-1,4-Dihydro-1,8-Napthyridene-3-Carboxamide Phosphodiesterase-4 Inhibitor and a Method of Preparing Same PDE12, PDE4A, PDE4B KDM1A 694/4885KDM1B 1532/4885CYP4F2 135/4885

“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.