SCHEMBL4963121

SCHEMBL4963121

COc1ccc(Oc2c(C)cc([N+](=O)[O-])cc2C)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.44
HTT P42858 4/20 0.44
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
TLR9 Q9NR96 1/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 2/20 0.40
CYP19A1 P11511 1/20 0.40
PTGS2 P35354 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL6664059 0.85 TUBB4A (0.51) ALDH1A1MAPTHTTTDP1MEN1
SCHEMBL6273742 0.84 KDM4E (0.48) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL4965062 0.83 THRB (0.48) ALDH1A1MAPTHTTTDP1MEN1
SCHEMBL7530267 0.83 HTT (0.42) ALDH1A1MAPTHTTTDP1MEN1
SCHEMBL6268698 0.83 TLR9 (0.50) ALDH1A1MAPTHTTTDP1MEN1
SCHEMBL4963578 0.82 ALOX5 (0.48) ALDH1A1MAPTHTTTDP1MEN1
SCHEMBL6657214 0.82 MAPT (0.43) ALDH1A1MAPTHTTTDP1MEN1
SCHEMBL22966283 0.81 ALDH1A1 (0.46) ALDH1A1MAPTHTTTDP1MEN1
SCHEMBL7042879 0.81 MAPT (0.41) ALDH1A1MAPTHTTTDP1MEN1
SCHEMBL22966190 0.78 ALDH1A1 (0.51) ALDH1A1MAPTHTTTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268404-B1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS PFIZER PROD INC (US) 2008-01-02 EP disclosed
EP-1268404-B1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS PFIZER PROD INC (US) 2008-01-02 EP disclosed
US-20070173548-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P 2007-07-26 US disclosed
US-20070173548-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P 2007-07-26 US disclosed
US-20070173548-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P 2007-07-26 US disclosed
US-7202275-B2 Malonamic acids and derivatives thereof as thyroid receptor ligands WARNER LAMBERT COMPANY LLC (US) 2007-04-10 US disclosed
US-7202275-B2 Malonamic acids and derivatives thereof as thyroid receptor ligands WARNER LAMBERT COMPANY LLC (US) 2007-04-10 US disclosed
US-7202275-B2 Malonamic acids and derivatives thereof as thyroid receptor ligands WARNER LAMBERT COMPANY LLC (US) 2007-04-10 US disclosed
US-20050209333-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P 2005-09-22 US disclosed
US-6930107-B2 6-azauracil derivatives as thyroid receptor ligands PFIZER INC. (US) 2005-08-16 US disclosed
US-6924310-B2 Malonamic acids and derivatives thereof as thyroid receptor ligands PFIZER INC. (US) 2005-08-02 US disclosed
EP-1088819-B1 6-azauracil derivatives as thyroid receptor ligands PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-6787652-B1 LOWERING LIPIDS AND SERUM CHOLESTEROL WITHOUT GENERATING ADVERSE CARDIAC EFFECTS; 4,5-DIHYDRO-3,5-DIOXO-1,2,4-TRIAZINE DERIVATIVES PFIZER, INC. 2004-09-07 US disclosed
US-20040157844-A1 6-azauracil derivatives as thyroid receptor ligands DOW ROBERT L (US) 2004-08-12 US disclosed
US-20040077694-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P (US) 2004-04-22 US disclosed
US-6664291-B2 Aromatic amidealkyl acid or ester or amide or hydroxy derivatives are useful in the treatment of obesity, overweight condition, hyperlipidemia, glucoma, cardiac arrhythmias, thyroid disease, skin disoders and diabetes PFIZER, INC. 2003-12-16 US disclosed
EP-1268404-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2003-01-02 EP disclosed
US-20010051657-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands PFIZER INC. 2001-12-13 US disclosed
WO-2001072692-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2001-10-04 WO disclosed
EP-1088819-A2 6-azauracil derivatives as thyroid receptor ligands Pfizer Products Inc. (US) 2001-04-04 EP 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-20040157844-A1 6-azauracil derivatives as thyroid receptor ligands TSHR, THRA, THRB ALDH1A1 291/4885MAPT 3823/4885HTT 2028/4885
US-20070173548-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR ALDH1A1 1034/4885MAPT 2348/4885HTT 435/4885
US-20050209333-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR ALDH1A1 1034/4885MAPT 2348/4885HTT 435/4885
US-20040077694-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR ALDH1A1 864/4885MAPT 2428/4885HTT 458/4885
US-20010051657-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, THRB ALDH1A1 711/4885MAPT 2595/4885HTT 542/4885

“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.