SCHEMBL412126

SCHEMBL412126

O=C1O[C@@H](CO)CN1c1ccc(Br)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.46
MAOB P27338 4/20 0.46
CALML3 P27482 7/20 0.46
GRM2 Q14416 3/20 0.40
LMNA P02545 1/20 0.36
PTGS1 P23219 1/20 0.36
SDHA P31040 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL13942149 0.84 MAOA (0.46) MAOAMAOBCALML3GRM2LMNA
SCHEMBL469925 0.84 MAOA (0.46) MAOAMAOBCALML3GRM2LMNA
SCHEMBL28380585 0.82 MAOA (0.57) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL16685649 0.80 CALML3 (0.50) MAOAMAOBCALML3GRM2LMNA
SCHEMBL2897920 0.80 CALML3 (0.50) MAOAMAOBCALML3GRM2LMNA
SCHEMBL16686193 0.78 MAOB (0.36) MAOAMAOBCALML3GRM2LMNA
SCHEMBL16686195 0.78 MAOB (0.36) MAOAMAOBCALML3GRM2LMNA
SCHEMBL30768255 0.77 CALML3 (0.65) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL30468631 0.77 CALML3 (0.65) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL29021122 0.77 CALML3 (0.65) MAOAMAOBCALML3LMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190713-A1 ANTIMICROBIAL ORTHO-FLUOROPHENYL OXAZOLIDINONES FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH (US) 2012-07-26 US disclosed
US-20120190713-A1 ANTIMICROBIAL ORTHO-FLUOROPHENYL OXAZOLIDINONES FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH (US) 2012-07-26 US disclosed
US-8178683-B2 Antimicrobial ortho-fluorophenyl oxazolidinones for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2012-05-15 US disclosed
US-8178683-B2 Antimicrobial ortho-fluorophenyl oxazolidinones for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2012-05-15 US disclosed
US-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 US disclosed
US-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 US disclosed
US-20100204477-A1 Methods and Processes For Syntheses and Manufacture of Antimicrobial 1(Ortho-Fluorophenyl)dihydropyridones MICURX PHARMACEUTICALS, INC. (KY) 2010-08-12 US disclosed
US-20100204477-A1 Methods and Processes For Syntheses and Manufacture of Antimicrobial 1(Ortho-Fluorophenyl)dihydropyridones MICURX PHARMACEUTICALS, INC. (KY) 2010-08-12 US disclosed
US-20090048305-A1 Antimicrobial ortho-Fluorophenyl Oxazolidinones For Treatment of Bacterial Infections SHANGHAI MICURX PHARMACEUTICAL CO. LTD. (CN) 2009-02-19 US disclosed
US-20090048305-A1 Antimicrobial ortho-Fluorophenyl Oxazolidinones For Treatment of Bacterial Infections SHANGHAI MICURX PHARMACEUTICAL CO. LTD. (CN) 2009-02-19 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 (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-20120190713-A1 ANTIMICROBIAL ORTHO-FLUOROPHENYL OXAZOLIDINONES FOR TREATMENT OF BACTERIAL INFECTIONS OXA1L, OGFOD1, OLA1 MAOA 1026/4885MAOB 765/4885CALML3 4723/4885
US-20100204477-A1 Methods and Processes For Syntheses and Manufacture of Antimicrobial 1(Ortho-Fluorophenyl)dihydropyridones DHPS, FDPS, CYP2F1 MAOA 1004/4885MAOB 772/4885CALML3 4182/4885
US-20090048305-A1 Antimicrobial ortho-Fluorophenyl Oxazolidinones For Treatment of Bacterial Infections OXA1L, OGFOD1, OLA1 MAOA 1026/4885MAOB 765/4885CALML3 4723/4885
US-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections NISCH, SI, VIP MAOA 853/4885MAOB 427/4885CALML3 1652/4885

“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.