SCHEMBL4130184

SCHEMBL4130184

FC(F)(F)c1cc(-c2ccco2)n(Cc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
MAPT P10636 4/20 0.49
HPGD P15428 6/20 0.47
KDM4E B2RXH2 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ATM Q13315 2/20 0.47
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 5/20 0.43
TSHR P16473 4/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP1 P29466 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL13184352 0.82 KDM4E (0.47) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL27256593 0.80 KDM4E (0.43) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL3474522 0.79 RXRA (0.52) ALDH1A1MAPTHPGDKDM4EPOLB
SCHEMBL950143 0.77 PTGS1 (0.64) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL5369670 0.76 ALDH1A1 (0.52) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL27699409 0.73 MEN1 (0.46) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL12632315 0.73 HPGD (0.65) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL15148105 0.73 GRN (0.48) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL950629 0.73 RXRA (0.52) ALDH1A1MAPTHPGDKDM4EPOLB
SCHEMBL5069634 0.72 KLKB1 (0.57) ALDH1A1MAPTHPGDKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143375-A1 Tricyclic Lactam Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
US-20090143375-A1 Tricyclic Lactam Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
US-20090143375-A1 Tricyclic Lactam Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
EP-1966213-A1 TRICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
US-7300950-B2 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2007-11-27 US disclosed
US-7285569-B2 Tricycles, their manufacture and use as pharmaceutical agents HOFF HOFFMANN-LA ROCHE INC. (US) 2007-10-23 US disclosed
US-7285569-B2 Tricycles, their manufacture and use as pharmaceutical agents HOFF HOFFMANN-LA ROCHE INC. (US) 2007-10-23 US disclosed
US-7285569-B2 Tricycles, their manufacture and use as pharmaceutical agents HOFF HOFFMANN-LA ROCHE INC. (US) 2007-10-23 US disclosed
WO-2007068465-A1 TRICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
WO-2007068465-A1 TRICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
EP-1793822-A1 TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-06-13 EP disclosed
WO-2006032519-A1 TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO disclosed
US-20060069145-A1 Tricycles, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-03-30 US disclosed
US-20050176799-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH. 2005-08-11 US disclosed
US-6897232-B2 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-05-24 US disclosed
EP-1418176-A1 Pyrazole derivates, their preparation and their use in drugs Aventis Pharma Deutschland GmbH (DE) 2004-05-12 EP disclosed
EP-0908456-B1 Pyrazole derivatives, their preparation and their use in drugs AVENTIS PHARMA GMBH (DE) 2003-12-17 EP disclosed
US-20030105336-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH 2003-06-05 US disclosed
US-6162819-A Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-19 US disclosed
EP-0908456-A1 Pyrazole derivatives, their preparation and their use in drugs Hoechst Marion Roussel Deutschland GmbH (DE) 1999-04-14 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 (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-20050176799-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals PDE3A, PDE3B, PDE5A ALDH1A1 977/4885MAPT 4369/4885HPGD 136/4885
US-20030105336-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals PDE3B, PDE3A, PDE5A ALDH1A1 750/4885MAPT 4507/4885HPGD 115/4885
US-20090143375-A1 Tricyclic Lactam Derivatives, Their Manufacture and Use as Pharmaceutical Agents AAAS, CYP3A5, BRCA1 ALDH1A1 898/4885MAPT 2911/4885HPGD 577/4885
US-20060069145-A1 Tricycles, their manufacture and use as pharmaceutical agents ABCB1, CYP3A43, CYP3A5 ALDH1A1 677/4885MAPT 3433/4885HPGD 634/4885

“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.