Sugi Predict

Sugi Predict / Compounds / SCHEMBL5651926

SCHEMBL5651926

SCHEMBL5651926

O=[N+]([O-])c1ccc(N(CC(F)(F)F)CC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ CRHBP P24387 2/20 0.47
▸ CRHR2 Q13324 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ TLR9 Q9NR96 1/20 0.47
▸ MAPT P10636 3/20 0.44
▸ TSHR P16473 2/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PHLPP2 Q6ZVD8 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LOXL2 Q9Y4K0 1/20 0.41

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
SCHEMBL2511559 0.78 ALDH1A1 (0.50) L3MBTL1ALDH1A1CRHBPCRHR2MEN1
SCHEMBL160430 0.75 ALDH1A1 (0.57) L3MBTL1ALDH1A1CRHBPCRHR2MEN1
SCHEMBL11681034 0.73 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL17525043 0.72 MAPT (0.49) L3MBTL1ALDH1A1CRHBPCRHR2MEN1
SCHEMBL29740662 0.72 MAPT (0.57) L3MBTL1ALDH1A1CRHBPCRHR2MEN1
SCHEMBL4912258 0.72 MAPT (0.49) L3MBTL1ALDH1A1CRHBPCRHR2MEN1
SCHEMBL5692166 0.72 MAPT (0.62) L3MBTL1ALDH1A1CRHBPCRHR2MEN1
SCHEMBL168393 0.72 ALDH1A1 (0.54) L3MBTL1ALDH1A1CRHBPCRHR2MEN1
SCHEMBL16730053 0.72 MAPT (0.51) L3MBTL1ALDH1A1CRHBPCRHR2MEN1
SCHEMBL17609555 0.71 MAPT (0.49) L3MBTL1ALDH1A1CRHBPCRHR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-09 — — US claimed
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-01-02 — — US claimed
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-11-01 — — US claimed
WO-2005090282-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-29 — — WO claimed
US-9359285-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-06-07 — — US disclosed
US-9359285-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-06-07 — — US disclosed
US-9359285-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-06-07 — — US disclosed
US-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-09 — — US disclosed
US-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-09 — — US disclosed
US-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-09 — — US disclosed
US-8865918-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-10-21 — — US disclosed
US-8865918-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-10-21 — — US disclosed
US-8865918-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-10-21 — — US disclosed
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-01-02 — — US disclosed
US-8519158-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-08-27 — — US disclosed
US-8519158-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-08-27 — — US disclosed
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-11-01 — — US disclosed
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-11-01 — — US disclosed
WO-2005090282-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-29 — — 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 (3 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-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS AR, SHBG, NR5A1 L3MBTL1 4877/4885ALDH1A1 611/4885CRHBP 599/4885
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS AR, SHBG, NR5A1 L3MBTL1 4877/4885ALDH1A1 611/4885CRHBP 599/4885
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods AR, SHBG, NR5A1 L3MBTL1 4877/4885ALDH1A1 611/4885CRHBP 599/4885

“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.