SCHEMBL4185071

SCHEMBL4185071

O=[N+]([O-])c1ccccc1OCC(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.66
NPC1 O15118 3/20 0.66
RECQL P46063 2/20 0.66
ALDH1A1 P00352 6/20 0.56
HTT P42858 1/20 0.56
POLB P06746 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL31194220 1.00 RAB9A (0.66) RAB9ANPC1RECQLALDH1A1HTT
SCHEMBL11029941 0.89 NPC1 (0.51) RAB9ANPC1RECQLALDH1A1HTT
SCHEMBL7492950 0.87 RAB9A (0.62) RAB9ANPC1RECQLALDH1A1HTT
SCHEMBL14827010 0.86 RAB9A (0.70) RAB9ANPC1RECQLALDH1A1HTT
SCHEMBL28504880 0.85 NPC1 (0.47) RAB9ANPC1RECQLALDH1A1HTT
SCHEMBL11451550 0.84 RECQL (0.49) RAB9ANPC1RECQLALDH1A1HTT
SCHEMBL10452734 0.83 RAB9A (0.66) RAB9ANPC1RECQLALDH1A1HTT
SCHEMBL13990505 0.83 RAB9A (0.66) RAB9ANPC1RECQLALDH1A1HTT
SCHEMBL310373 0.82 ALDH1A1 (0.50) RAB9ANPC1RECQLALDH1A1HTT
SCHEMBL6771960 0.82 HSPB1 (0.49) RAB9ANPC1RECQLTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112142567-B Preparation method of 2-fluoro-3-chlorophenol 浙江永太科技股份有限公司 2023-11-14 CN disclosed
CN-112142567-A Preparation method of 2-fluoro-3-chlorophenol 浙江永太科技股份有限公司 2020-12-29 CN disclosed
CN-102531963-A Preparation method for 2,2,2-trifluoroethoxy aromatic hydrocarbon derivant SHANGHAI SINOFLUORO SCIENT CO 2012-07-04 CN disclosed
US-20090099204-A1 Amide derivative, insecticide containing the same and method for application thereof as insecticide MITSUI CHEMICALS, INC. (JP) 2009-04-16 US disclosed
US-20090099204-A1 Amide derivative, insecticide containing the same and method for application thereof as insecticide MITSUI CHEMICALS, INC. (JP) 2009-04-16 US disclosed
US-20090099204-A1 Amide derivative, insecticide containing the same and method for application thereof as insecticide MITSUI CHEMICALS, INC. (JP) 2009-04-16 US disclosed
EP-1916236-A1 AMIDE DERIVATIVE, PESTICIDE CONTAINING SUCH COMPOUND AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2008-04-30 EP disclosed
EP-1916236-A1 AMIDE DERIVATIVE, PESTICIDE CONTAINING SUCH COMPOUND AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2008-04-30 EP disclosed
EP-0966466-B1 PYRROLO 3,2-c]QUINOLINE DERIVATIVES CONTAINING HALOALKOXY GROUP AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF KOREA RES INST CHEM TECH (KR) 2002-07-03 EP disclosed
EP-0748800-B1 Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-09 EP disclosed
US-6011044-A ANTIULCER AGENTS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-01-04 US disclosed
US-5859014-A USEFUL IN TREATMENT OF DISEASES INVOLVING DIRECTLY OR INDIRECTLY AN OBSTRUCTION OF THE LOWER URINARY TRACT, SUCH ASBENIGN PROSTATE HYPERPLASIA SYNTEX (U.S.A.) INC. (US) 1999-01-12 US disclosed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 EP disclosed
US-4810699-A Substituted 1,3,4,9-tetrahydropyrano[3,4,-b]indole-1-acetic acids, pharmaceutical compositions containing them, and methods for treating inflammatory conditions and for analgesic purposes using them AMERICAN HOME PRODUCTS CORPORATION (US) 1989-03-07 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 (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-20090099204-A1 Amide derivative, insecticide containing the same and method for application thereof as insecticide CYP2E1, GSTA1, CYP2S1 RAB9A 2449/4885NPC1 1763/4885RECQL 580/4885

“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.