SCHEMBL18640452

SCHEMBL18640452

O=[N+]([O-])c1cccc(C=Cc2ncco2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.60
▸ RAB9A P51151 5/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ NFE2L2 Q16236 3/20 0.59
▸ CYP19A1 P11511 1/20 0.57
▸ MAOB P27338 2/20 0.57
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ FBP1 P09467 1/20 0.54
▸ VCP P55072 1/20 0.54
▸ POLB P06746 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.51
▸ CASP3 P42574 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ METAP2 P50579 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
SCHEMBL30633018 1.00 MAPT (0.60) MAPTRAB9AALDH1A1NPC1NFE2L2
SCHEMBL18640449 1.00 MAPT (0.60) MAPTRAB9AALDH1A1NPC1NFE2L2
SCHEMBL30632956 0.82 RAB9A (0.58) MAPTRAB9ANPC1CYP19A1MEN1
SCHEMBL15498134 0.80 NFE2L2 (0.89) MAPTRAB9AALDH1A1NPC1NFE2L2
SCHEMBL11301074 0.77 CYP19A1 (0.93) MAPTRAB9AALDH1A1NPC1NFE2L2
SCHEMBL11301072 0.77 CYP19A1 (0.93) MAPTRAB9AALDH1A1NPC1NFE2L2
SCHEMBL5894264 0.76 NFE2L2 (0.75) MAPTRAB9AALDH1A1NPC1NFE2L2
SCHEMBL5894256 0.76 NFE2L2 (0.75) MAPTRAB9AALDH1A1NPC1NFE2L2
SCHEMBL30632879 0.76 ALDH1A1 (0.39) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL4710212 0.75 RAB9A (1.00) MAPTRAB9AALDH1A1NPC1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350165-B1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO INC (US) 2023-07-26 — — EP disclosed
US-20220081390-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO, INC. 2022-03-17 — — US 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-20210032195-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2021-02-04 — — US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20210032195-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 MAPT 4394/4885RAB9A 2088/4885ALDH1A1 2205/4885
US-11214538-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 MAPT 4394/4885RAB9A 2088/4885ALDH1A1 2205/4885
US-10703712-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 MAPT 4394/4885RAB9A 2088/4885ALDH1A1 2205/4885
US-20180282263-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 MAPT 4394/4885RAB9A 2088/4885ALDH1A1 2205/4885
US-20220081390-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 MAPT 4394/4885RAB9A 2088/4885ALDH1A1 2205/4885

“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.

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