SCHEMBL6794740

SCHEMBL6794740

O=C(CO)Nc1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.66
ALDH1A1 P00352 3/20 0.61
HDAC3 O15379 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
CDK2 P24941 1/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 2/20 0.56
THRB P10828 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 2/20 0.54
POLB P06746 1/20 0.53
TGM2 P21980 1/20 0.52
ATM Q13315 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL2352584 0.89 MEN1 (0.56) GAAALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL1753925 0.86 GAA (0.70) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL8864575 0.86 CYP1A2 (0.54) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL14816847 0.83 HDAC3 (0.64) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL23540018 0.83 RXFP1 (0.53) GAAALDH1A1CDK2KMT2ASMN1; SMN2
SCHEMBL9843748 0.83 GAA (0.66) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL27985505 0.82 GAA (0.59) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL5804257 0.81 GAA (0.63) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL1193345 0.81 NPC1 (0.63) GAAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL5804254 0.81 GAA (0.63) GAAALDH1A1HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626380-B1 N-(4-Fluorophenyl)-heteroaryloxyacetamide as herbicides BAYER AG (DE) 1999-01-13 EP claimed
EP-0626380-A1 N-(4-Fluorophenyl)-heteroaryloxyacetamide as herbicides BAYER AG (DE) 1994-11-30 EP claimed
JP-7048361-A None JP disclosed
EP-3710444-B1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-04-12 EP disclosed
US-10676424-B2 Trifluoromethoylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-06-09 US disclosed
US-20190016670-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-01-17 US disclosed
WO-2016019588-A1 OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE THE BROAD INSTITUTE, INC. (US) 2016-02-11 WO disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
EP-0626380-B1 N-(4-Fluorophenyl)-heteroaryloxyacetamide as herbicides BAYER AG (DE) 1999-01-13 EP disclosed
JP-H0748361-A N-(4-FLUOROPHENYL)HETEROARYLOXYACETAMIDE AS HERBI-CIDE BAYER AG 1995-02-21 JP disclosed
EP-0626380-A1 N-(4-Fluorophenyl)-heteroaryloxyacetamide as herbicides BAYER AG (DE) 1994-11-30 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 (2 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-20190016670-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, ARSA, ALK GAA 4070/4885ALDH1A1 599/4885HDAC3 388/4885
US-10676424-B2 Trifluoromethoylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 GAA 4240/4885ALDH1A1 1123/4885HDAC3 228/4885

“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.