Sugi Predict

Sugi Predict / Compounds / SCHEMBL83755

SCHEMBL83755

SCHEMBL83755

O=CC[C@H](CF)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 7/20 0.38
▸ GAA P10253 1/20 0.38
▸ POLB P06746 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CASP3 P42574 4/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ DNMT1 P26358 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL74639 1.00 TDP1 (0.40) TDP1ALDH1A1GAAPOLBHSD17B10
SCHEMBL74640 1.00 TDP1 (0.40) TDP1ALDH1A1GAAPOLBHSD17B10
SCHEMBL9631223 0.85 TDP1 (0.47) TDP1ALDH1A1GAAPOLBHSD17B10
SCHEMBL83756 0.85 CASP3 (0.46) TDP1ALDH1A1GAAPOLBHSD17B10
SCHEMBL29750000 0.85 CASP3 (0.46) TDP1ALDH1A1GAAPOLBHSD17B10
SCHEMBL24387679 0.85 CASP3 (0.46) TDP1ALDH1A1GAAPOLBHSD17B10
SCHEMBL9636878 0.83 ALDH1A1 (0.39) TDP1ALDH1A1GAAPOLBHSD17B10
SCHEMBL1239670 0.77 TDP1 (0.62) TDP1ALDH1A1GAAPOLBCASP3
SCHEMBL1239675 0.77 TDP1 (0.62) TDP1ALDH1A1GAAPOLBCASP3
SCHEMBL19047043 0.76 TDP1 (0.47) TDP1ALDH1A1GAATP53CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091926-B1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2015-10-21 — — EP disclosed
US-8129358-B2 Substituted pyrazole and triazole compounds as KSP inhibitors NOVARTIS AG (CH) 2012-03-06 — — US disclosed
US-8129358-B2 Substituted pyrazole and triazole compounds as KSP inhibitors NOVARTIS AG (CH) 2012-03-06 — — US disclosed
EP-1912972-B1 SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2011-09-28 — — EP disclosed
US-7902240-B2 Kinesin spindle protein (KSP); anticancer agents; antiproliferative agents; e.g. N-((S)-3-amino-4-fluorobutyl)-N ((R)-1-(1-benzyl-3-(2,5-difluorophenyl)-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropyl)nicotinamide NOVARTIS AG (CH) 2011-03-08 — — US disclosed
US-7902240-B2 Kinesin spindle protein (KSP); anticancer agents; antiproliferative agents; e.g. N-((S)-3-amino-4-fluorobutyl)-N ((R)-1-(1-benzyl-3-(2,5-difluorophenyl)-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropyl)nicotinamide NOVARTIS AG (CH) 2011-03-08 — — US disclosed
US-20100034813-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2010-02-11 — — US disclosed
US-20100034813-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2010-02-11 — — US disclosed
US-7626040-B2 Substituted imidazole compounds as KSP inhibitors NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 — — US disclosed
US-7626040-B2 Substituted imidazole compounds as KSP inhibitors NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 — — US disclosed
US-20080200462-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG 2008-08-21 — — US disclosed
US-20080200462-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG 2008-08-21 — — US disclosed
WO-2008063912-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2008-05-29 — — WO disclosed
WO-2007021794-A1 SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2007-02-22 — — WO disclosed
US-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition NOVARTIS VACCINES AND DIAGNOSTICS INC. 2007-02-15 — — US disclosed
US-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition NOVARTIS VACCINES AND DIAGNOSTICS INC. 2007-02-15 — — 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 (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-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition KIF5B, KIF2C, KIF18B TDP1 658/4885ALDH1A1 1685/4885GAA 2246/4885
US-20100034813-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS CYP3A43, ABCG2, CYP3A7 TDP1 2098/4885ALDH1A1 1512/4885GAA 676/4885
US-20080200462-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS CYP3A43, ABCG2, CYP3A7 TDP1 2098/4885ALDH1A1 1512/4885GAA 676/4885

“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.