SCHEMBL3621616

SCHEMBL3621616

CC(=O)c1cc(F)c(F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
APEX1 P27695 1/20 0.56
HPGD P15428 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 3/20 0.49
TSHR P16473 2/20 0.49
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL15757221 0.89 POLB (0.46) POLBAPEX1HPGDSMN1; SMN2MAPT
SCHEMBL2630704 0.89 POLB (0.46) POLBAPEX1HPGDSMN1; SMN2MAPT
SCHEMBL19433388 0.85 POLB (0.43) POLBAPEX1HPGDSMN1; SMN2MAPT
SCHEMBL10625992 0.85 TSHR (0.44) POLBAPEX1HPGDSMN1; SMN2MAPT
SCHEMBL690412 0.84 POLB (0.46) POLBAPEX1HPGDSMN1; SMN2MAPT
SCHEMBL29997409 0.84 POLB (0.46) POLBAPEX1HPGDSMN1; SMN2MAPT
SCHEMBL23301697 0.84 POLB (0.42) POLBAPEX1HPGDSMN1; SMN2MAPT
SCHEMBL9053212 0.84 KEAP1 (0.43) POLBAPEX1HPGDSMN1; SMN2MAPT
SCHEMBL9025713 0.84 POLB (0.42) POLBAPEX1HPGDSMN1; SMN2MAPT
SCHEMBL31462929 0.84 POLB (0.42) POLBAPEX1HPGDSMN1; SMN2MAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5068449-A FLUORINATED BENZOYL COMPOUNDS ASAHI GLASS COMPANY, LTD. (JP) 1991-11-26 US claimed
EP-0342849-A2 Intermediates for preparing 1,4-dihydro-4-oxo-quinoline-3-carboxylic acid esters PFIZER INC. (US) 1989-11-23 EP claimed
EP-0303291-A2 Fluorinated benzoyl compounds ASAHI GLASS COMPANY LTD. (JP) 1989-02-15 EP claimed
JP-1045332-A None JP disclosed
EP-2114906-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8604061-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2013-12-10 US disclosed
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO (DE) 2012-08-02 US disclosed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 US disclosed
EP-2114906-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
US-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 US disclosed
EP-0303291-B1 Fluorinated benzoyl compounds ASAHI GLASS CO LTD (JP) 1995-04-26 EP disclosed
EP-0411252-B1 Process for the preparation of fluorobenzoic acids RIEDEL DE HAEN AG (DE) 1993-11-03 EP disclosed
US-5093515-A Intermediate for quinolone carboxylic acid bactericide ASAHI GLASS COMPANY LTD. (JP) 1992-03-03 US disclosed
US-5093529-A Process for the preparation of fluorinated benzoic acids CASSELLA AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
US-5068449-A FLUORINATED BENZOYL COMPOUNDS ASAHI GLASS COMPANY, LTD. (JP) 1991-11-26 US disclosed
US-4994610-A Process for preparing fluorinated benzoyl compounds ASAHI GLASS COMPANY, LTD. (JP) 1991-02-19 US disclosed
EP-0411252-A1 Process for the preparation of fluorobenzoic acids RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1991-02-06 EP disclosed
EP-0342849-A2 Intermediates for preparing 1,4-dihydro-4-oxo-quinoline-3-carboxylic acid esters PFIZER INC. (US) 1989-11-23 EP disclosed
EP-0303291-A2 Fluorinated benzoyl compounds ASAHI GLASS COMPANY LTD. (JP) 1989-02-15 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 (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-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R POLB 3079/4885APEX1 3347/4885HPGD 3898/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R POLB 3014/4885APEX1 3393/4885HPGD 3835/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R POLB 3079/4885APEX1 3347/4885HPGD 3898/4885

“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.