SCHEMBL4464758

SCHEMBL4464758

CCOC(=O)C(=CNC1CC1)C(=O)c1ccc(F)c(Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 3/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DHODH Q02127 2/20 0.36
P2RX7 Q99572 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
POLB P06746 2/20 0.34
GPR35 Q9HC97 1/20 0.34
CYP3A4 P08684 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
SCHEMBL8159367 1.00 NPSR1 (0.39) NPSR1MAPTGAAMEN1KMT2A
SCHEMBL9145727 0.89 MAPT (0.39) NPSR1MAPTGAAMEN1KMT2A
SCHEMBL9145729 0.89 MAPT (0.39) NPSR1MAPTGAAMEN1KMT2A
SCHEMBL9149464 0.87 NPSR1 (0.38) NPSR1MAPTGAAMEN1KMT2A
SCHEMBL9149478 0.87 NPSR1 (0.38) NPSR1MAPTGAAMEN1KMT2A
SCHEMBL9152339 0.87 NPSR1 (0.38) NPSR1MAPTGAAMEN1KMT2A
SCHEMBL9149471 0.87 NPSR1 (0.38) NPSR1MAPTGAAMEN1KMT2A
SCHEMBL8437121 0.87 POLB (0.39) NPSR1MAPTGAAMEN1KMT2A
SCHEMBL8437126 0.87 POLB (0.39) NPSR1MAPTGAAMEN1KMT2A
SCHEMBL9562451 0.87 POLB (0.39) NPSR1MAPTGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482454-B2 Antimicrobial quinolones, their compositions, and uses THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 US disclosed
US-20060100436-A1 Antimicrobial quinolones, their compositions, and uses WARNER CHILCOTT COMPANY, LLC 2006-05-11 US disclosed
US-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 US disclosed
US-6114590-A Process for the preparation of polyhalogenated benzotrifluorides, benzotrichlorides and benzoyl chlorides and new trihalogenobenzotrichlorides and -benzoyl chlorides BAYER AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
EP-1015445-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2000-07-05 EP disclosed
US-6075165-A Process for the preparation of polyhalogenated benzotrifluorides, benzotrichlorides and benzoyl chlorides and new trihalogenobenzotrichlorides and -benzoyl chlorides BAYER AKTIENGESELLSCHAFT (DE) 2000-06-13 US disclosed
WO-1999014214-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 1999-03-25 WO disclosed
EP-0607824-B1 Method for the production of multiply halogenated benzotrichlorides and benzoyl chlorides as well as new multiply halogenated benzotrichlorides BAYER AG (DE) 1998-04-22 EP disclosed
US-5599980-A Process for the preparation of polyhalogenated benzotrifluorides, benzotrichlorides and benzoyl chlorides and new trihalogenobenzotrichlorides and -benzoyl chlorides BAYER AKTIENGESELLSCHAFT (DE) 1997-02-04 US disclosed
US-5457104-A Antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1995-10-10 US disclosed
EP-0607824-A2 Method for the production of multiply halogenated benzotrifluorides, benzotrichlorides and benzoyl chlorides as well as trihalobenzotrichlorides and -benzoyl chlorides BAYER AG (DE) 1994-07-27 EP disclosed
EP-0607825-A1 6-H-4-OXO-3-quinoline-carboxylic acids and their analogues as antibacterial agents BAYER AG (DE) 1994-07-27 EP 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 (1 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-20060100436-A1 Antimicrobial quinolones, their compositions, and uses Q6ZSR9, RECQL, QARS1 NPSR1 1691/4885MAPT 4116/4885GAA 2040/4885

“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.