SCHEMBL5945280

SCHEMBL5945280

O=C1CCN(c2ccc([N+](=O)[O-])c(F)c2F)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 5/20 0.56
LMNA P02545 3/20 0.48
CTSB P07858 2/20 0.44
AR P10275 1/20 0.44
POLB P06746 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40
TNNC1 P63316 1/20 0.40
PKM P14618 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL519289 0.81 CTSB (0.62) ALDH1A1MAPTLMNACTSBPOLB
SCHEMBL29847859 0.81 MAPT (0.56) ALDH1A1KMT2AMAPTLMNACYP1A2
SCHEMBL16513957 0.81 MAPT (0.56) ALDH1A1KMT2AMAPTLMNACYP1A2
SCHEMBL853018 0.79 MAPT (0.60) ALDH1A1KMT2AMAPTLMNACTSB
SCHEMBL11891609 0.79 MAPT (0.47) ALDH1A1KMT2AMAPTLMNACTSB
SCHEMBL4247986 0.77 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTLMNACTSB
SCHEMBL16822909 0.76 MAPT (0.50) ALDH1A1KMT2AMAPTLMNACTSB
SCHEMBL16513522 0.76 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL7715875 0.76 LMNA (0.59) ALDH1A1KMT2AMAPTLMNACTSB
SCHEMBL5945309 0.75 ALDH1A1 (0.62) ALDH1A1KMT2AMAPTLMNACYP1A2

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 7 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-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 (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-20120190713-A1 ANTIMICROBIAL ORTHO-FLUOROPHENYL OXAZOLIDINONES FOR TREATMENT OF BACTERIAL INFECTIONS OXA1L, OGFOD1, OLA1 ALDH1A1 1556/4885KMT2A 4529/4885MAPT 4287/4885
US-20100204477-A1 Methods and Processes For Syntheses and Manufacture of Antimicrobial 1(Ortho-Fluorophenyl)dihydropyridones DHPS, FDPS, CYP2F1 ALDH1A1 232/4885KMT2A 4764/4885MAPT 2269/4885
US-20090048305-A1 Antimicrobial ortho-Fluorophenyl Oxazolidinones For Treatment of Bacterial Infections OXA1L, OGFOD1, OLA1 ALDH1A1 1556/4885KMT2A 4529/4885MAPT 4287/4885

“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.