SCHEMBL12329596

SCHEMBL12329596

Cc1cc(C(F)(F)F)cc([N+](=O)[O-])c1N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
CYP3A4 P08684 4/20 0.58
TSHR P16473 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
HIF1A Q16665 1/20 0.58
TXNRD1 Q16881 1/20 0.58
TXNRD3 Q86VQ6 1/20 0.58
TXNRD2 Q9NNW7 1/20 0.58
MAPK1 P28482 4/20 0.50
PTPN5 P54829 1/20 0.49
MAPT P10636 5/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
RECQL P46063 1/20 0.44
KDM4E B2RXH2 2/20 0.43
PLK1 P53350 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL9015339 0.89 ALDH1A1 (0.82) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL2415016 0.84 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL15828729 0.84 POLB (0.55) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL18299297 0.82 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL1193184 0.82 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL10285828 0.82 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL9173191 0.82 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL19585205 0.81 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL994270 0.81 ALDH1A1 (0.66) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL18825074 0.81 ALDH1A1 (0.70) ALDH1A1CYP3A4TSHRTDP1HPGD

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 18 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
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
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
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 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 940/4885CYP3A4 275/4885TSHR 215/4885
US-10106501-B2 Nuclear receptor modulators NR1I2, NR1H2, NR5A2 ALDH1A1 940/4885CYP3A4 275/4885TSHR 215/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ALDH1A1 940/4885CYP3A4 275/4885TSHR 215/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ALDH1A1 940/4885CYP3A4 275/4885TSHR 215/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ALDH1A1 940/4885CYP3A4 275/4885TSHR 215/4885

“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.