SCHEMBL18298908

SCHEMBL18298908

CNc1ccc(C(F)(F)F)c(C)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
POLB P06746 2/20 0.38
MAPK1 P28482 2/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 3/20 0.36
PKM P14618 1/20 0.36
HCAR3 P49019 1/20 0.36
APP P05067 1/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPAS1 Q99814 2/20 0.34
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34
ARNT P27540 1/20 0.34
KIF11 P52732 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34

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
SCHEMBL18300010 0.81 EPAS1 (0.41) ALDH1A1MAPTKMT2ATDP1EPAS1
SCHEMBL21603504 0.80 ALDH1A1 (0.48) ALDH1A1TDP1EPAS1SMN1; SMN2
SCHEMBL16830984 0.79 ALDH1A1 (0.46) ALDH1A1POLBMAPK1MAPTMEN1
SCHEMBL27757990 0.77 EPAS1 (0.41) ALDH1A1TDP1EPAS1ARNTGRIN2D
SCHEMBL6142555 0.76 TDP1 (0.48) ALDH1A1POLBMAPK1MAPTKMT2A
SCHEMBL2974012 0.75 TDP1 (0.45) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL13105763 0.75 TAS2R14 (0.39) ALDH1A1POLBMAPK1MAPTMEN1
SCHEMBL29558653 0.75 MEN1 (0.43) ALDH1A1POLBMAPK1MAPTMEN1
SCHEMBL27972981 0.75 ALDH1A1 (0.38) ALDH1A1POLBMAPK1MAPTMEN1
SCHEMBL16750263 0.75 MEN1 (0.43) ALDH1A1POLBMAPK1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2019-02-21 US disclosed
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2019-02-21 US disclosed
US-10106501-B2 Nuclear receptor modulators ABBVIE INC. (US) 2018-10-23 US disclosed
EP-3307734-A1 NUCLEAR RECEPTOR MODULATORS AbbVie Inc. (US) 2018-04-18 EP disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
WO-2016200851-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO disclosed
WO-2016200851-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
WO-2016198908-A1 ROR NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO disclosed
WO-2016198908-A1 ROR NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 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-20160362370-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ALDH1A1 940/4885POLB 3941/4885MAPK1 2630/4885
US-10106501-B2 Nuclear receptor modulators NR1I2, NR1H2, NR5A2 ALDH1A1 940/4885POLB 3941/4885MAPK1 2630/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ALDH1A1 940/4885POLB 3941/4885MAPK1 2630/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ALDH1A1 940/4885POLB 3941/4885MAPK1 2630/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ALDH1A1 940/4885POLB 3941/4885MAPK1 2630/4885

“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.