SCHEMBL5737262

SCHEMBL5737262

O=Cc1ccc(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
ALDH1A1 P00352 7/20 0.58
HPGD P15428 5/20 0.58
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 3/20 0.41
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
GAA P10253 2/20 0.41
GSK3B P49841 2/20 0.40
GSK3A P49840 1/20 0.40
MASP2 O00187 1/20 0.40
F2 P00734 1/20 0.40

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
SCHEMBL2350945 0.80 MAPT (0.65) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL2262163 0.80 MAPT (0.63) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL16316334 0.78 ALDH1A1 (0.43) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL5662153 0.78 ALDH1A1 (0.57) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL2322204 0.76 KMT2A (0.61) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL4030956 0.75 PTPN1 (0.50) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL2222010 0.75 ALDH1A1 (0.62) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL13719145 0.75 MEN1 (0.42) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL10664124 0.75 MAPT (0.40) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL10664105 0.75 MAPT (0.40) MAPTALDH1A1HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399156-B1 ALKYLIDENE PIRAZOLIDINEDIONE DERIVATIVES AND THEIR USE FOR TREATING DIABETES AND OBESITY APPLIED RESEARCH SYSTEMS (AN) 2006-11-22 EP disclosed
US-20040220188-A1 Alkylidene pyrazolidinedione derivatives LABORATOIRES SERONO SA (CH) 2004-11-04 US disclosed
EP-1399156-A2 ALKYLIDENE PIRAZOLIDINEDIONE DERIVATIVES AND THEIR USE FOR TREATING DIABETES AND OBESITY Applied Research Systems ARS Holding N.V. (AN) 2004-03-24 EP disclosed
WO-2002102359-A2 ALKYLIDENE PYRAZOLIDINEDIONE DERIVATIVES AND USE FOR TREATING DIABETES AND OBESITY APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-12-27 WO disclosed
WO-2000032598-A9 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS INC (US) 2000-11-30 WO disclosed
WO-2000032598-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS INC. (US) 2000-06-08 WO disclosed
US-4792614-A ANTIHYPER CHOLESTEROL AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-12-20 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 (1 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-20040220188-A1 Alkylidene pyrazolidinedione derivatives G6PC1, PPM1D, PTPRS MAPT 4820/4885ALDH1A1 721/4885HPGD 3057/4885

“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.