SCHEMBL18299918

SCHEMBL18299918

[N-]=[N+]=NC(=Cc1ccc(C(F)(F)F)cc1F)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ PDE2A O00408 7/20 0.35
▸ APP P05067 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ CES2 O00748 2/20 0.32

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
SCHEMBL18299915 1.00 CYP1A1 (0.38) CYP1A1CYP1B1GAAPDE2AAPP
SCHEMBL18299914 1.00 CYP1A1 (0.38) CYP1A1CYP1B1GAAPDE2AAPP
SCHEMBL28899732 0.87 CES2 (0.41) PDE2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23148082 0.86 PDE2A (0.36) CYP1A1CYP1B1GAAPDE2AKDM4E
SCHEMBL30262303 0.82 NPSR1 (0.40) GAAPDE2AKDM4EALDH1A1HPGD
SCHEMBL18307352 0.82 NPSR1 (0.40) GAAPDE2AKDM4EALDH1A1HPGD
SCHEMBL29063087 0.81 GPR183 (0.34) ALDH1A1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL23147748 0.81 GLA (0.35) MEN1KMT2A
SCHEMBL21490371 0.78 CYP1A1 (0.42) CYP1A1CYP1B1KDM4EALDH1A1MEN1
SCHEMBL21490370 0.78 CYP1A1 (0.42) CYP1A1CYP1B1KDM4EALDH1A1MEN1

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 8 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-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
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
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

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 CYP1A1 291/4885CYP1B1 378/4885GAA 3605/4885
US-10106501-B2 Nuclear receptor modulators NR1I2, NR1H2, NR5A2 CYP1A1 291/4885CYP1B1 378/4885GAA 3605/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 CYP1A1 291/4885CYP1B1 378/4885GAA 3605/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 CYP1A1 291/4885CYP1B1 378/4885GAA 3605/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 CYP1A1 291/4885CYP1B1 378/4885GAA 3605/4885

“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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