SCHEMBL402991

SCHEMBL402991

CS(=O)(=O)OCc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.51
ALDH1A1 P00352 5/20 0.46
HIF1A Q16665 1/20 0.46
LMNA P02545 5/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MITF O75030 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 1/20 0.40
PTGES O14684 2/20 0.40
CYP19A1 P11511 4/20 0.38
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KAT2B Q92831 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL16054702 0.86 CYP3A4 (0.44) VCAM1ALDH1A1LMNAMAPTHTT
SCHEMBL3252445 0.84 ALDH1A1 (0.46) ALDH1A1RECQLMAPTHTTMEN1
SCHEMBL18458211 0.82 ALDH1A1 (0.42) ALDH1A1MAPTGAARAB9ACYP19A1
SCHEMBL4301275 0.82 VCAM1 (0.49) VCAM1ALDH1A1POLB
SCHEMBL2708859 0.81 ALDH1A1 (0.51) VCAM1ALDH1A1HIF1ALMNARECQL
SCHEMBL28339827 0.81 ALDH1A1 (0.55) VCAM1ALDH1A1HIF1ALMNARECQL
SCHEMBL551849 0.81 MAPT (0.44) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL8109357 0.80 ALDH1A1 (0.40) VCAM1ALDH1A1HIF1ALMNAGAA
SCHEMBL5906064 0.79 TSHR (0.47) VCAM1ALDH1A1LMNAMAPTNPSR1
SCHEMBL27088009 0.79 SIRT6 (0.43) ALDH1A1LMNAGAANPSR1HTT

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264133-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2025-04-01 US disclosed
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2022-06-16 US disclosed
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2021-07-01 US disclosed
US-10975034-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2021-04-13 US disclosed
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2019-11-21 US disclosed
US-10385023-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2019-08-20 US disclosed
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2018-10-25 US disclosed
US-10035770-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2018-07-31 US disclosed
EP-2862859-B1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2018-07-25 EP disclosed
US-20170267638-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2017-09-21 US disclosed
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 WO disclosed
WO-2007070626-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 EP disclosed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO disclosed
US-20060014761-A1 Substituted urea derivatives activate the cardiac sarcomere by potentiating cardiac myosin; systolic heart failure including congestive heart failure; 4-[(3-fluoro-5-{[(6-methyl(3-pyridyl))amino]carbonylamino}-phenyl)methyl]piperazinecarboxylate CYTOKINETICS, INCORPORATED 2006-01-19 US disclosed
EP-0260744-B1 (1H-IMIDAZOL-1-YLMETHYL) SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed
US-4859684-A (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives and use thereof in treating androgen dependent disorders JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-22 US disclosed
EP-0260744-A2 (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-03-23 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 (10 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-20060014761-A1 Substituted urea derivatives activate the cardiac sarcomere by potentiating cardiac myosin; systolic heart failure including congestive heart failure; 4-[(3-fluoro-5-{[(6-methyl(3-pyridyl))amino]carbonylamino}-phenyl)methyl]piperazinecarboxylate TNNI3, MYLK2, TNNT2 VCAM1 3644/4885ALDH1A1 4250/4885HIF1A 3158/4885
US-20170267638-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 VCAM1 3142/4885ALDH1A1 4381/4885HIF1A 2668/4885
US-10385023-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 VCAM1 3142/4885ALDH1A1 4381/4885HIF1A 2668/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 VCAM1 3142/4885ALDH1A1 4381/4885HIF1A 2668/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 VCAM1 3142/4885ALDH1A1 4381/4885HIF1A 2668/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 VCAM1 3142/4885ALDH1A1 4381/4885HIF1A 2668/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 VCAM1 3142/4885ALDH1A1 4381/4885HIF1A 2668/4885
US-10035770-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 VCAM1 3142/4885ALDH1A1 4381/4885HIF1A 2668/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 VCAM1 3142/4885ALDH1A1 4381/4885HIF1A 2668/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 VCAM1 3142/4885ALDH1A1 4381/4885HIF1A 2668/4885

“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.