SCHEMBL3366577

SCHEMBL3366577

O=C(c1ccccc1F)C(Br)Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.58
CES1 P23141 4/20 0.58
ALDH1A1 P00352 2/20 0.54
ALOX15 P16050 1/20 0.54
GAA P10253 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 3/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
PTPN1 P18031 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
BCHE P06276 1/20 0.43
LMNA P02545 1/20 0.43
GSK3B P49841 1/20 0.42
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALB P02768 1/20 0.41

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
SCHEMBL30712874 1.00 CES2 (0.58) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL1743417 0.85 CES2 (0.56) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL28872295 0.83 ALDH1A1 (0.55) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL1155548 0.83 CES2 (0.55) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL27670818 0.80 CES2 (0.51) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL30081002 0.80 CES2 (0.60) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL9312422 0.80 CES2 (0.60) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL30682655 0.80 CES2 (0.60) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL888679 0.78 CES2 (0.58) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL9861760 0.78 ALDH1A1 (0.59) CES2CES1ALDH1A1ALOX15GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260070892-A1 FUNCTIONALIZED AMINOTRIAZINES LEADXPRO AG (CH) 2026-03-12 US disclosed
US-12391670-B2 Functionalized aminotriazines LEADXPRO AG (CH) 2025-08-19 US disclosed
CN-112955441-B Functionalized aminotriazines 里德埃克斯普洛股份公司 2024-06-18 CN disclosed
CN-117285411-A Preparation method of 2' -bromo-o-fluoro acetophenone 扬州市普林斯医药科技有限公司 2023-12-26 CN disclosed
CN-117285411-A Preparation method of 2' -bromo-o-fluoro acetophenone 扬州市普林斯医药科技有限公司 2023-12-26 CN disclosed
EP-3870573-B1 FUNCTIONALIZED AMINOTRIAZINES LEADXPRO AG (CH) 2023-08-02 EP disclosed
EP-3870573-B1 FUNCTIONALIZED AMINOTRIAZINES LEADXPRO AG (CH) 2023-08-02 EP disclosed
US-20210395225-A1 FUNCTIONALIZED AMINOTRIAZINES LEADXPRO AG (CH) 2021-12-23 US disclosed
US-20210395225-A1 FUNCTIONALIZED AMINOTRIAZINES LEADXPRO AG (CH) 2021-12-23 US disclosed
CN-112955441-A Functionalized aminotriazines 里德埃克斯普洛股份公司 2021-06-11 CN disclosed
WO-2020083957-A1 FUNCTIONALIZED AMINOTRIAZINES LEADXPRO AG (CH) 2020-04-30 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO 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-20210395225-A1 FUNCTIONALIZED AMINOTRIAZINES TBXA2R, ADORA2B, ADORA2A CES2 3637/4885CES1 1106/4885ALDH1A1 778/4885
US-20260070892-A1 FUNCTIONALIZED AMINOTRIAZINES ADORA2B, TBXA2R, CNR1 CES2 2901/4885CES1 764/4885ALDH1A1 448/4885
US-12391670-B2 Functionalized aminotriazines TBXA2R, ADORA2B, ADORA2A CES2 3619/4885CES1 1088/4885ALDH1A1 773/4885

“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.