SCHEMBL18640461

SCHEMBL18640461

O=[N+]([O-])c1cccc(/C=C/Br)c1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.77
FBP1 P09467 2/20 0.69
VCP P55072 1/20 0.69
CYP19A1 P11511 1/20 0.69
MAPT P10636 3/20 0.62
ALDH1A1 P00352 2/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
MAOB P27338 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
TSHR P16473 2/20 0.57
LMNA P02545 1/20 0.57
ACHE P22303 1/20 0.53
GLO1 Q04760 1/20 0.53
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSP90AA1 P07900 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
SCHEMBL9422259 1.00 NFE2L2 (0.77) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL29420866 1.00 NFE2L2 (0.77) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL15498134 0.88 NFE2L2 (0.89) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL1405314 0.87 NFE2L2 (1.00) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL1405312 0.87 NFE2L2 (1.00) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL5390935 0.85 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL11301074 0.85 CYP19A1 (0.93) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL11301072 0.85 CYP19A1 (0.93) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL11213439 0.84 NFE2L2 (0.86) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL11213438 0.84 NFE2L2 (0.86) NFE2L2FBP1VCPCYP19A1MAPT

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
EP-3941206-A1 NEW USES OF A MUTATED LACTONASE, AND COMPOSITIONS Fondation Méditerranée Infection (FR) 2022-01-26 EP claimed
WO-2020187861-A1 NEW USES OF A MUTATED LACTONASE, AND COMPOSITIONS FONDATION MEDITERRANEE INFECTION (FR) 2020-09-24 WO claimed
US-20250304931-A1 NOVEL MUTATED LACTONASE ENZYMES, COMPOSITIONS CONTAINING THEM AND USES THEREOF GENE AND GREEN TK (FR) 2025-10-02 US disclosed
EP-4479529-A1 NOVEL MUTATED LACTONASE ENZYMES, COMPOSITIONS CONTAINING THEM AND USES THEREOF Gene And Green TK (FR) 2024-12-25 EP disclosed
WO-2023156432-A1 NOVEL MUTATED LACTONASE ENZYMES, COMPOSITIONS CONTAINING THEM AND USES THEREOF GENE AND GREEN TK (FR) 2023-08-24 WO disclosed
EP-3350165-B1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO INC (US) 2023-07-26 EP disclosed
US-20230193225-A1 NEW USES OF A MUTATED LACTONASE, AND COMPOSITIONS AIX-MARSEILLE UNIVERSITE (FR) 2023-06-22 US disclosed
US-20220081390-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO, INC. 2022-03-17 US disclosed
EP-3941206-A1 NEW USES OF A MUTATED LACTONASE, AND COMPOSITIONS Fondation Méditerranée Infection (FR) 2022-01-26 EP disclosed
US-11214538-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-01-04 US disclosed
CN-108349893-B Farnesoid X receptor agonists and uses thereof 梅塔克林公司 2021-12-28 CN disclosed
US-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION UNIV CALIFORNIA (US) 2021-06-24 US disclosed
US-20210032195-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2021-02-04 US disclosed
WO-2020187861-A1 NEW USES OF A MUTATED LACTONASE, AND COMPOSITIONS FONDATION MEDITERRANEE INFECTION (FR) 2020-09-24 WO disclosed
US-10703712-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2020-07-07 US disclosed
US-20180282263-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2018-10-04 US disclosed
CN-108349893-A Farnesoid X receptor agonists and application thereof 梅塔科林公司 2018-07-31 CN disclosed
EP-3350165-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2018-07-25 EP disclosed
WO-2017049173-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2017-03-23 WO disclosed
WO-2017049173-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2017-03-23 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 (6 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-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION HGF, CXCL12, CCL11 NFE2L2 271/4885FBP1 2332/4885VCP 4665/4885
US-20210032195-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 NFE2L2 2167/4885FBP1 481/4885VCP 162/4885
US-11214538-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 NFE2L2 2167/4885FBP1 481/4885VCP 162/4885
US-10703712-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 NFE2L2 2167/4885FBP1 481/4885VCP 162/4885
US-20180282263-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 NFE2L2 2167/4885FBP1 481/4885VCP 162/4885
US-20220081390-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 NFE2L2 2167/4885FBP1 481/4885VCP 162/4885

“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.